SCHEMBL16797478

SCHEMBL16797478

C=CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nnc1-c1cccs1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.79
KMT2A Q03164 6/20 0.79
ALOX15 P16050 2/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
ALDH1A1 P00352 6/20 0.77
KDM4E B2RXH2 6/20 0.77
TSHR P16473 3/20 0.77
MEN1 O00255 3/20 0.77
PTK2 Q05397 1/20 0.73
RAB9A P51151 1/20 0.71
HTT P42858 2/20 0.69
GLA P06280 1/20 0.69
HPGD P15428 3/20 0.65
STAT6 P42226 1/20 0.65
MAPT P10636 4/20 0.64
NPSR1 Q6W5P4 4/20 0.64
MAPK1 P28482 2/20 0.63
USP2 O75604 1/20 0.63
RXFP1 Q9HBX9 2/20 0.63
POLB P06746 1/20 0.63

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
SCHEMBL13832067 0.92 KMT2A (0.75) HSD17B10KMT2AALOX15SMN1; SMN2ALDH1A1
SCHEMBL4368602 0.90 KMT2A (0.75) HSD17B10KMT2AALOX15SMN1; SMN2ALDH1A1
SCHEMBL3889633 0.87 MAPT (0.82) HSD17B10KMT2AALOX15SMN1; SMN2ALDH1A1
SCHEMBL15983278 0.87 KMT2A (0.74) HSD17B10KMT2AALOX15SMN1; SMN2ALDH1A1
SCHEMBL15983277 0.86 ALDH1A1 (0.70) HSD17B10KMT2AALOX15SMN1; SMN2ALDH1A1
SCHEMBL15983290 0.82 MAPT (0.82) HSD17B10KMT2AALOX15SMN1; SMN2ALDH1A1
SCHEMBL18559063 0.81 PTK2 (0.80) KMT2ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL14478848 0.80 KDM4E (0.81) HSD17B10KMT2AALOX15SMN1; SMN2ALDH1A1
SCHEMBL13831372 0.79 KMT2A (0.71) HSD17B10KMT2AALOX15SMN1; SMN2ALDH1A1
SCHEMBL13832070 0.79 ALDH1A1 (0.83) HSD17B10KMT2ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3079680-A2 COMPOSITIONS AND METHODS FOR TREATING, PREVENTING AND DIAGNOSING CANCER AND OTHER PROLIFERATIVE DISORDERS Angiogenex, Inc. (US) 2016-10-19 EP disclosed
WO-2015089495-A2 COMPOSITIONS AND METHODS FOR TREATING, PREVENTING AND DIAGNOSING CANCER AND OTHER PROLIFERATIVE DISORDERS ANGIOGENEX, INC. (US) 2015-06-18 WO disclosed