SCHEMBL26287906

SCHEMBL26287906

Cc1cccc2cc(=O)[nH]c(C)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 1.00
▸ KDM4E B2RXH2 3/20 0.59
▸ ALDH1A1 P00352 1/20 0.56
▸ LMNA P02545 1/20 0.46
▸ PDE3B Q13370 2/20 0.44
▸ PDE3A Q14432 2/20 0.44
▸ PARP1 P09874 2/20 0.43
▸ DAO P14920 1/20 0.42
▸ DDO Q99489 1/20 0.42
▸ CYP2C19 P33261 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ JAK1 P23458 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL24756943 0.81 CYP1A2 (0.69) CYP1A2KDM4EALDH1A1LMNAPDE3B
SCHEMBL16740896 0.72 ALDH1A1 (1.00) CYP1A2KDM4EALDH1A1LMNACYP2C19
SCHEMBL6645443 0.72 CYP1A2 (0.56) CYP1A2KDM4EALDH1A1PDE3BPDE3A
SCHEMBL588459 0.71 ALDH1A1 (0.53) CYP1A2KDM4EALDH1A1PARP1KMT2A
SCHEMBL29353343 0.71 ALDH1A1 (0.53) CYP1A2KDM4EALDH1A1PARP1KMT2A
Hydrochloric Acid SCHEMBL16740892 0.71 ALDH1A1 (0.96) CYP1A2KDM4EALDH1A1LMNACYP2C19
Formaldehyde SCHEMBL28821851 0.69 CYP1A2 (0.52) CYP1A2KDM4EALDH1A1PARP1DAO
SCHEMBL598921 0.69 CYP1A2 (0.52) CYP1A2KDM4EALDH1A1KMT2AMEN1
SCHEMBL31607507 0.68 TNKS2 (0.52) CYP1A2LMNADAODDOCYP2C19
SCHEMBL8404581 0.67 CYP1A2 (0.50) CYP1A2ALDH1A1PARP1HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015262-A1 FUSED RING KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2024-01-18 — — WO disclosed
WO-2023173017-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 — — WO disclosed
WO-2023173016-A1 KRAS INHIBITORS FOR TREATING DISEASE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 — — WO disclosed
WO-2023173014-A1 KRAS INHIBITORS AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-09-14 — — WO disclosed
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