SCHEMBL25414592

SCHEMBL25414592

Nc1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 1.00
▸ ALDH1A1 P00352 3/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ SMN1; SMN2 Q16637 2/20 1.00
▸ NPC1 O15118 2/20 1.00
▸ CASP3 P42574 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ MAPT P10636 5/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PDE4D Q08499 2/20 0.47
▸ LMNA P02545 3/20 0.47
▸ MITF O75030 1/20 0.45
▸ CFTR P13569 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL32682840 1.00 RAB9A (1.00) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL25414634 0.85 KMT2A (0.74) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12609646 0.85 RAB9A (0.73) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
Bromide SCHEMBL30277721 0.84 RAB9A (0.72) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
Bromide SCHEMBL20501003 0.84 RAB9A (0.72) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1791855 0.81 ALDH1A1 (0.67) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12609813 0.80 RAB9A (0.66) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15716924 0.77 NPC1 (0.64) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL18128814 0.76 NPC1 (0.62) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12609624 0.76 RAB9A (0.60) RAB9AALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023081261-A1 TUNABLE FLUORESCENT COMPOUNDS AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2023-05-11 — — WO disclosed
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