SCHEMBL4192264

SCHEMBL4192264

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 3/20 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 3/20 0.38
RAB9A P51151 3/20 0.38
LTA4H P09960 2/20 0.36
EPHX2 P34913 2/20 0.36
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPY1R P25929 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33

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) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL7704544 0.91 ILK (0.41) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4190281 0.91 ALDH1A1 (0.40) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4190183 0.91 MAPT (0.40) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4194901 0.91 LTA4H (0.38) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4186370 0.89 RAB9A (0.42) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4191147 0.89 RAB9A (0.39) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4193844 0.88 ALDH1A1 (0.39) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4185618 0.88 KMT2A (0.42) LMNAALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4190241 0.87 CYP1A2 (0.37) LMNAALDH1A1MAPTCYP1A2CYP3A4

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-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
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