SCHEMBL30502812

SCHEMBL30502812

O=C(O)c1cc2n(n1)CCCN(S(=O)(=O)c1ccccc1[N+](=O)[O-])C2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.54
▸ LMNA P02545 2/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2519991 1.00 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL26890594 0.92 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL25433999 0.91 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL25434818 0.88 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL30502815 0.86 PKM (0.47) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL2520783 0.86 PKM (0.47) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL31217219 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL30502819 0.86 PKM (0.47) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL25433441 0.84 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL25434397 0.83 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2AHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709729-A1 PYRAZOLO[4,3-F]QUINAZOLINE DERIVATIVES AS MODULATORS OF G12D MUTANT KRAS USEFUL FOR THE TREATMENT OF CANCER Jazz Pharmaceuticals Ireland Ltd. (IE) 2026-03-18 — — EP disclosed
EP-4680609-A1 KRAS MODULATORS AND USES THEREOF Quanta Therapeutics, Inc. (US) 2026-01-21 — — EP disclosed
EP-4626888-A1 COMPOUNDS Redx Pharma Limited (GB) 2025-10-08 — — EP disclosed
WO-2025106901-A1 COMBINATION CANCER THERAPIES WITH A KRAS MODULATOR AND AN RTK-MAPK PATHWAY INHIBITOR QUANTA THERAPEUTICS, INC. (US) 2025-05-22 — — WO disclosed
WO-2025106905-A1 COMBINATION THERAPIES WITH A KRAS MODULATOR AND AN IMMUNOMODULATOR INHIBITOR QUANTA THERAPEUTICS, INC. (US) 2025-05-22 — — WO disclosed
EP-4532494-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF Quanta Therapeutics, Inc. (US) 2025-04-09 — — EP disclosed
WO-2025034919-A1 COMBINATION THERAPIES WITH KRAS MODULATORS QUANTA THERAPEUTICS, INC. (US) 2025-02-13 — — WO disclosed
WO-2025034883-A1 COMBINATION THERAPIES WITH KRAS MODULATORS QUANTA THERAPEUTICS, INC. (US) 2025-02-13 — — WO disclosed
EP-4475956-A1 KRAS MODULATORS AND USES THEREOF Quanta Therapeutics, Inc. (US) 2024-12-18 — — EP disclosed
WO-2024236452-A1 PYRAZOLO[4,3-F]QUINAZOLINE DERIVATIVES AS MODULATORS OF G12D MUTANT KRAS USEFUL FOR THE TREATMENT OF CANCER JAZZ PHARMACEUTICALS IRELAND LTD. (IE) 2024-11-21 — — WO disclosed
WO-2024192424-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2024-09-19 — — WO disclosed
WO-2024115890-A1 COMPOUNDS REDX PHARMA PLC (GB) 2024-06-06 — — WO disclosed
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 — — WO disclosed
WO-2023154766-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-08-17 — — WO disclosed
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