SCHEMBL9603688

SCHEMBL9603688

CC(=O)N1CCc2c(sc3nc(-c4ccccc4)c(C(=O)O)c(N)c23)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 4/20 0.47
THRB P10828 1/20 0.47
PRKCI P41743 2/20 0.47
KDM4E B2RXH2 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RAB9A P51151 1/20 0.47
BRD3 Q15059 2/20 0.46
HTT P42858 1/20 0.44
LIMK1 P53667 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
GRM5 P41594 1/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR3A P46098 1/20 0.42

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
SCHEMBL9599526 0.84 RAB9A (0.47) MAPTALDH1A1KDM4ENPSR1RAB9A
SCHEMBL9597904 0.83 BPTF (0.46) MAPTALDH1A1TP53THRBPRKCI
SCHEMBL9598196 0.76 ADORA1 (0.43) MAPTALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL9598034 0.72 PRKCI (0.48) MAPTALDH1A1PRKCIKDM4ERAB9A
SCHEMBL10856568 0.70 ADORA1 (0.69) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9598331 0.70 ADORA1 (0.64) MAPTPRKCIKDM4E
SCHEMBL9599417 0.70 KDM4E (0.57) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL9603759 0.70 GABRP (0.41) MAPTALDH1A1KDM4ERAB9AHTT
SCHEMBL8202194 0.69 HSD17B10 (0.51) MAPTALDH1A1TP53THRBPRKCI
SCHEMBL4067002 0.68 WEE1 (0.44) MAPTALDH1A1TP53THRBPRKCI

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-1993013104-A1 C.N.S. ACTIVE TRICYCLIC THIENOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1993-07-08 WO disclosed