SCHEMBL3400840

SCHEMBL3400840

CCCCN1CCCN(C(=O)c2sc(-c3ccc(F)c(Cl)c3)nc2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
PARP1 P09874 5/20 0.41
CNR1 P21554 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
HTR2C P28335 2/20 0.39
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HSP90AA1 P07900 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL3398458 0.93 THRA (0.43) THRATHRBPARP1CNR1HRH3
SCHEMBL3400494 0.92 THRA (0.45) THRATHRBPARP1CNR1HRH3
SCHEMBL3405885 0.92 THRA (0.45) THRATHRBCNR1HRH3HTR2C
SCHEMBL3403653 0.91 THRA (0.45) THRATHRBPARP1CNR1HRH3
SCHEMBL3405660 0.89 THRA (0.45) THRATHRBPARP1CNR1HRH3
SCHEMBL3401483 0.89 RAB9A (0.49) CNR1HRH3KMT2AKDM4EMEN1
SCHEMBL3405405 0.88 KMT2A (0.53) THRATHRBCNR1HRH3HTR2C
SCHEMBL3399931 0.87 RORC (0.42) THRATHRBCNR1HRH3HTR2C
SCHEMBL3402581 0.87 CNR1 (0.47) THRATHRBPARP1CNR1HRH3
SCHEMBL3402275 0.87 CNR1 (0.43) THRATHRBPARP1CNR1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed