SCHEMBL8573164

SCHEMBL8573164

Cc1nnn(-c2ccccc2)c1C(=O)N(C)c1ccccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.45
HTT P42858 2/20 0.41
TACR1 P25103 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NTRK1 P04629 1/20 0.37
TP53 P04637 2/20 0.36
ALOX12 P18054 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 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
SCHEMBL8571115 0.78 PDE4D (0.53) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL22897264 0.74 HTT (0.60) GPBAR1HTTCYP1A2CYP2C9CYP2C19
SCHEMBL8573160 0.73 MEN1 (0.47) GPBAR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL8568969 0.72 TACR1 (0.40) GPBAR1TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL30684467 0.71 HTT (0.53) HTTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8570467 0.69 L3MBTL1 (0.49) HTTTACR1CYP2C19MEN1KMT2A
SCHEMBL5883327 0.69 TACR1 (0.54) GPBAR1TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL7452209 0.69 TACR1 (0.46) GPBAR1TACR1MEN1KMT2ASMN1; SMN2
SCHEMBL13325635 0.68 IDO1 (0.44) HTTCYP1A2CYP2C19MEN1KMT2A
SCHEMBL8574900 0.68 TACR1 (0.42) GPBAR1HTTTACR1MEN1KMT2A

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed