SCHEMBL3658289

SCHEMBL3658289

Cc1cc(NC(=O)Nc2cccc(C#N)c2)ccc1[N+]1(C2CCNC2)CCCC1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
KCNJ6 P48051 1/20 0.45
KCNJ5 P48544 1/20 0.45
KCNJ3 P48549 1/20 0.45
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM5 P41594 1/20 0.41
ROCK2 O75116 1/20 0.40
TSHR P16473 1/20 0.40
KDR P35968 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL3657525 0.89 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTKCNJ6
SCHEMBL3652477 0.87 ESR1 (0.45) KMT2AMEN1NPC1RAB9AMAPK14
SCHEMBL3657582 0.85 HRH3 (0.41) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3658091 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2TSHR
Trifluoroacetic Acid SCHEMBL3656237 0.82 MLYCD (0.41) KMT2AMEN1NPC1RAB9A
SCHEMBL3650124 0.81 HSP90AA1 (0.50) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL3655033 0.80 HRH3 (0.48) KMT2AMEN1ALDH1A1MAPTNPC1
Trifluoroacetic Acid SCHEMBL3660920 0.80 HRH3 (0.38)
SCHEMBL3658418 0.79 NPC1 (0.48) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL3655641 0.79 MAPK14 (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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-2215058-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-11 EP claimed
WO-2009052068-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO claimed
EP-2215058-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-11 EP disclosed
WO-2009052068-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed