SCHEMBL9334671

SCHEMBL9334671

CCOC(=O)Cn1nc(Cl)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 6/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ ELANE P08246 3/20 0.44
▸ F2 P00734 2/20 0.44
▸ PLAU P00749 2/20 0.44
▸ CTRB1 P17538 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ MAPK8 P45983 1/20 0.41

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
SCHEMBL9334648 0.82 TSHR (0.46) SMN1; SMN2MAPTPOLBALDH1A1LMNA
SCHEMBL9331775 0.81 TSHR (0.51) RAB9ASMN1; SMN2MAPTNPC1POLB
SCHEMBL19208718 0.80 ELANE (0.49) RAB9ASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL19208817 0.79 ELANE (0.53) RAB9ASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL19208691 0.78 ELANE (0.53) RAB9ASMN1; SMN2MAPTPOLBALDH1A1
SCHEMBL11688337 0.74 HSD17B10 (0.38) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30728062 0.72 CNR2 (0.44) SMN1; SMN2MAPTPOLBALDH1A1LMNA
SCHEMBL22151034 0.72 CNR2 (0.44) SMN1; SMN2MAPTPOLBALDH1A1LMNA
SCHEMBL26633067 0.72 CYP1A2 (0.64) RAB9ASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL22151026 0.72 MAPT (0.52) MAPTLMNAELANEMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0448206-B1 Substituted benzimidazole and indazole derivatives, processes for their preparation and their use as herbicides ZENECA LTD (GB) 1994-12-28 — — EP disclosed
US-5306692-A Herbicidal indazole and benzimidazole compounds ZENECA LIMITED (GB) 1994-04-26 — — US disclosed
EP-0448206-A2 Substituted benzimidazole and indazole derivatives, processes for their preparation and their use as herbicides ZENECA LIMITED (GB) 1991-09-25 — — EP disclosed
Send feedback