SCHEMBL9690935

SCHEMBL9690935

Nc1c(Cl)ncnc1NCCO

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.61
GALR3 O60755 1/20 0.57
KDM4C Q9H3R0 1/20 0.49
CYP3A4 P08684 1/20 0.45
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CHEK1 O14757 1/20 0.40
CDK1 P06493 1/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CCNA1 P78396 2/20 0.40
TP53 P04637 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
SCHEMBL11595017 0.90 RAB9A (0.58) RAB9AGALR3KDM4CMAPTLMNA
SCHEMBL17815674 0.89 RAB9A (0.64) RAB9AGALR3KDM4CMAPTLMNA
SCHEMBL10338024 0.88 RAB9A (0.57) RAB9AGALR3KDM4CMAPTLMNA
Hydrochloric Acid SCHEMBL9765063 0.87 RAB9A (0.56) RAB9AGALR3KDM4CMAPTLMNA
SCHEMBL17815686 0.85 RAB9A (0.60) RAB9AGALR3KDM4CMAPTLMNA
SCHEMBL4057859 0.82 GALR3 (0.61) RAB9AGALR3KDM4CMAPTLMNA
SCHEMBL17815682 0.81 RAB9A (0.56) RAB9AGALR3KDM4CMAPTLMNA
SCHEMBL19980064 0.80 RAB9A (0.56) RAB9AGALR3KDM4CMAPTLMNA
Hydrochloric Acid SCHEMBL17802556 0.79 RAB9A (0.55) RAB9AGALR3KDM4CMAPTLMNA
SCHEMBL14466445 0.79 GALR3 (0.58) RAB9AGALR3KDM4CLMNACDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0294074-B1 DIHYDROPYRIDINE ANTI-ALLERGIC AND ANTI-INFLAMMATORY AGENTS Pfizer Limited (GB) 1992-04-08 EP disclosed
US-4851412-A ASTHMA, ARTHRITIS PFIZER INC. (US) 1989-07-25 US disclosed
EP-0294074-A1 Dihydropyridine anti-allergic and anti-inflammatory agents Pfizer Limited (GB) 1988-12-07 EP disclosed
US-4100286-A 2-(Substituted heterocyclic amine)benzoic acids SCIENCE UNION ET CIE (FR) 1978-07-11 US disclosed