SCHEMBL9636737

SCHEMBL9636737

[c]1nnncc1Cc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 2/20 0.42
CHRNA7 P36544 1/20 0.41
MMP2 P08253 1/20 0.41
TBXAS1 P24557 2/20 0.40
LTA4H P09960 1/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CYP2A6 P11509 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL6167672 0.74 HRH4 (0.46) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL727185 0.73 CYP1A2 (0.62) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL3959322 0.72 CYP11B1 (0.45) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL177863 0.72 CYP11B1 (0.65) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL29995759 0.72 CYP11B1 (0.65) CYP11B1CYP11B2HRH4HRH3CYP1A2
Hydrochloric Acid SCHEMBL10665044 0.70 TBXAS1 (0.64) CYP11B1CYP11B2HRH4HRH3CYP1A2
Ammonia Solution, Strong SCHEMBL5999508 0.70 CYP11B1 (0.62) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL7535744 0.68 CYP11B1 (0.47) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL10691711 0.68 CYP11B1 (0.41) CYP11B1CYP11B2HRH4HRH3CYP1A2
SCHEMBL14257669 0.68 CYP1A2 (0.56) CYP11B1CYP11B2HRH4HRH3CYP1A2

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-5139533-A SUCCESSIVE DYEING WITH REACTIVE DYESTUFFS OF CELLULOSE FROM STANDING BATHS BY THE EXHAUST METHOD: USING EXHAUSTED DYE BATH WITH MADE UP VOLUME, SALT CONTENT AND PH BAYER AKTIENGESELLSCHAFT (DE) 1992-08-18 US disclosed