SCHEMBL9700338

SCHEMBL9700338

Sc1nc2ccc(Cl)nc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.40
TNF P01375 1/20 0.40
CXCL8 P10145 1/20 0.40
SOS1 Q07889 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
GALR3 O60755 1/20 0.40
NR2F2 P24468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNH2 Q12809 2/20 0.35
LMNA P02545 2/20 0.35
HIF1A Q16665 2/20 0.35

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
SCHEMBL9701321 0.79 TBXA2R (0.53) RAB9ATNFCXCL8SOS1NOD2
SCHEMBL9682976 0.75 NOD1 (0.40) RAB9ATNFCXCL8SOS1NOD2
SCHEMBL9700055 0.72 TRAP1 (0.48) MAPTPOLBTBXA2R
SCHEMBL9700250 0.71 CCR9 (0.41) SMN1; SMN2LMNATBXA2RCCR9NPC1
SCHEMBL9700242 0.69 TBXA2R (0.62) SMN1; SMN2LMNADRD2TBXA2RCCR9
SCHEMBL9681953 0.69 TBXA2R (0.59) RAB9ATNFCXCL8SOS1NOD2
SCHEMBL18319794 0.67 ALDH1A1 (0.47) RAB9AALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL17814735 0.66 PNP (0.57) KMT2APDE4DNPC1
SCHEMBL19771396 0.66 TP53 (0.51) MAPTPOLBLMNATDP1PDE4D
SCHEMBL9681986 0.65 NPSR1 (0.50) RAB9ATNFCXCL8SOS1NOD2

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-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed