SCHEMBL6299756

SCHEMBL6299756

Cc1ccc(NC(=N)N(CCN(C(=N)Nc2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6298600 0.93 POLB (0.42) POLBSMN1; SMN2ALDH1A1RAB9ATDP1
SCHEMBL6298803 0.90 ALDH1A1 (0.41) POLBSMN1; SMN2ALDH1A1RAB9ATDP1
SCHEMBL6298817 0.86 ALDH1A1 (0.38) POLBSMN1; SMN2ALDH1A1RAB9ATDP1
SCHEMBL6579177 0.85 MAPT (0.36) POLBSMN1; SMN2ALDH1A1RAB9ATDP1
SCHEMBL6992434 0.85 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1RAB9AMAPTHTT
SCHEMBL9116925 0.79 RAB9A (0.46) POLBSMN1; SMN2ALDH1A1RAB9ATDP1
SCHEMBL6298823 0.79 MAPT (0.59) ALDH1A1TDP1NPSR1MAPTHTT
SCHEMBL837180 0.77 IDO1 (0.37) ALDH1A1RAB9ATSHR
SCHEMBL5961419 0.76 ALDH1A1 (0.46) POLBSMN1; SMN2ALDH1A1RAB9ATDP1
SCHEMBL10336593 0.74 RAB9A (0.46) POLBSMN1; SMN2ALDH1A1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1413302-A2 Substituted guanidines for the treatment of pain Kadmus Pharmaceuticals, Inc. (US) 2004-04-28 EP claimed
JP-2003525213-A 2003-08-26 JP claimed
EP-1202718-A2 SUBSTITUTED GUANIDINES FOR THE TREATMENT OF CANCER AND PAIN Kadmus Pharmaceuticals, Inc. (US) 2002-05-08 EP claimed
WO-2001007029-A2 SUBSTITUTED GUANIDINES AND THE USE THEREOF KADMUS PHARMACEUTICALS, INC. (US) 2001-02-01 WO claimed
US-6875759-B1 Substituted guanidines and the use thereof KADMUS PHARMACEUTICALS (US) 2005-04-05 US disclosed
EP-1413302-A2 Substituted guanidines for the treatment of pain Kadmus Pharmaceuticals, Inc. (US) 2004-04-28 EP disclosed
EP-1202718-A2 SUBSTITUTED GUANIDINES FOR THE TREATMENT OF CANCER AND PAIN Kadmus Pharmaceuticals, Inc. (US) 2002-05-08 EP disclosed
WO-2001007029-A2 SUBSTITUTED GUANIDINES AND THE USE THEREOF KADMUS PHARMACEUTICALS, INC. (US) 2001-02-01 WO disclosed