SCHEMBL7704544

SCHEMBL7704544

N#CCC1C=CN=C(NCCc2ccc(O)cc2)N1c1nc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
NPY1R P25929 8/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
MGLL Q99685 1/20 0.32

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
SCHEMBL4192472 0.93 NPC1 (0.46) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL4192264 0.91 LMNA (0.40) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL4190183 0.91 MAPT (0.40) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL4190281 0.91 ALDH1A1 (0.40) ILKALDH1A1LMNAMAPTCYP1A2
SCHEMBL4190241 0.89 CYP1A2 (0.37) ILKALDH1A1LMNAMAPTCYP1A2
SCHEMBL4191147 0.89 RAB9A (0.39) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL4186370 0.89 RAB9A (0.42) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL4193844 0.88 ALDH1A1 (0.39) ALDH1A1LMNAMAPTCYP1A2CYP3A4
SCHEMBL4192273 0.87 MAPK9 (0.39) ILKALDH1A1LMNAMAPTCYP1A2
SCHEMBL4184088 0.86 CSNK1D (0.40) ALDH1A1LMNAMAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed