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SCHEMBL4726680

SCHEMBL4726680

CSc1ccccc1NC(=S)NC1CCN(c2nncc3ccc(Br)cc23)CC1.N#Cc1ccc(NC(=S)NC2CCN(c3nncc4ccc(Br)cc34)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL4582356 0.91 HTT (0.49) HTTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4582338 0.90 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL4727929 0.86 ALDH1A1 (0.39) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL4583961 0.84 HTT (0.49) HTTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL4584224 0.84 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL4581833 0.84 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2LMNARAB9A
SCHEMBL4583320 0.83 CCNC (0.40) KMT2AALDH1A1MAPT
SCHEMBL4582536 0.83 KMT2A (0.48) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL4582189 0.81 ALDH1A1 (0.48) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL4725222 0.81 HTT (0.46) HTTKMT2ASMN1; SMN2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008028690-A1 1-(HET)ARYL-3-[HETARYL-PIPERIDIN-4-YL]-THIOUREAS AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-13 — — WO claimed