SCHEMBL7539760

SCHEMBL7539760

CN(Cc1ccc(Cl)c2c1CN(Nc1ccncc1)C2)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
POLB P06746 2/20 0.32
NAMPT P43490 2/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TACR1 P25103 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL7484298 0.82 NAMPT (0.36) GAANAMPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7534680 0.81 NAMPT (0.33) GAANAMPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7480336 0.75 KDM4E (0.44) GAAHTTMEN1KMT2ANPC1
SCHEMBL7480341 0.74 TYK2 (0.36) GAAPOLBHTTMEN1KMT2A
Hydrochloric Acid SCHEMBL7490200 0.74 KDM4E (0.43) GAAHTTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7481351 0.73 TYK2 (0.35) GAAPOLBHTTMEN1KMT2A
SCHEMBL7481050 0.73 KCNMA1 (0.35) POLBHTTMEN1KMT2ACYP3A4
Bromide SCHEMBL7485672 0.72 KCNMA1 (0.35) POLBHTTMEN1KMT2ACYP3A4
SCHEMBL7478752 0.70 KCNMA1 (0.39) POLBMEN1KMT2ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7483308 0.69 KCNMA1 (0.38) POLBMEN1KMT2ANPC1RAB9A

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
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed