SCHEMBL10623535

SCHEMBL10623535

COc1c([N+](=O)[O-])cnn1-c1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 4/20 0.47
▸ MAPK1 P28482 4/20 0.42
▸ CDK4 P11802 1/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.35
▸ S1PR4 O95977 2/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ PAX8 Q06710 1/20 0.34

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
SCHEMBL10620304 0.86 TDP1 (0.44) MAPK1TSHRALDH1A1MAPTNPBWR1
SCHEMBL9526634 0.81 PKM (0.49) PKMMAPK1CDK4CCND1TSHR
SCHEMBL10609185 0.78 PKM (0.47) PKMMAPK1CDK4CCND1TSHR
SCHEMBL9526617 0.78 PKM (0.47) PKMMAPK1CDK4CCND1TSHR
SCHEMBL10623013 0.77 MAPK1 (0.40) PKMMAPK1CDK4CCND1ALDH1A1
SCHEMBL10769910 0.75 PKM (0.44) PKMMAPK1CDK4CCND1TSHR
SCHEMBL9530251 0.73 TDP1 (0.42) MAPK1TSHRALDH1A1MAPTLMNA
SCHEMBL10565321 0.71 MAPK1 (0.39) PKMMAPK1CDK4CCND1ALDH1A1
SCHEMBL10769576 0.70 TDP1 (0.41) MAPK1TSHRALDH1A1MAPTLMNA
SCHEMBL10559340 0.69 PKM (0.47) PKMMAPK1ALDH1A1MAPTS1PR4

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
US-4770692-A 4-cyano(nitro)-5-oxy(thio)-pyrazole derivatives, composition containing them, and herbicidal and plant growth regulating methods of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-09-13 — — US claimed
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