SCHEMBL9334648

SCHEMBL9334648

CCOC(=O)Cn1nc(Cl)c2ccc(O)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.43
▸ SLC22A12 Q96S37 1/20 0.43
▸ CYP2C19 P33261 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL9331775 0.86 TSHR (0.51) TSHRALDH1A1MAPK1MAPK8SMN1; SMN2
SCHEMBL9334671 0.82 RAB9A (0.48) TSHRALDH1A1MAPK1MAPK8SMN1; SMN2
SCHEMBL19236960 0.73 MEN1 (0.46) TSHRALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL6360534 0.73 HTR2A (0.55) SLC22A12ESR1
SCHEMBL9332034 0.73 PLA2G7 (0.38) TSHRALDH1A1MAPK1MAPK8HTT
SCHEMBL23613366 0.72 TP53 (0.42) TSHRALDH1A1MAPK8SMN1; SMN2HTT
SCHEMBL19236791 0.72 MEN1 (0.42) TSHRALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL29452022 0.71 TSHR (0.55) TSHRALDH1A1MAPK1MAPK8SMN1; SMN2
SCHEMBL19236962 0.71 MEN1 (0.41) TSHRALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL30231463 0.71 GAA (0.52) TSHRALDH1A1SMN1; SMN2HTTNLRP3

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
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