SCHEMBL9472002

SCHEMBL9472002

O=C1c2ccccc2C(=O)N1CCC(=O)N(c1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.60
POLB P06746 4/20 0.52
HSD17B10 Q99714 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL30098360 0.79 CA12 (0.66) ALDH1A1POLBHSD17B10KMT2AGAA
SCHEMBL135305 0.79 CA12 (0.66) ALDH1A1POLBHSD17B10KMT2AGAA
SCHEMBL28764622 0.77 ALDH1A1 (0.53) ALDH1A1POLBHSD17B10KMT2AGAA
SCHEMBL7999690 0.77 ALDH1A1 (0.57) ALDH1A1POLBHSD17B10KMT2AGAA
SCHEMBL14594063 0.77 KMT2A (0.60) ALDH1A1POLBHSD17B10KMT2AGAA
SCHEMBL10699963 0.76 POLB (0.58) ALDH1A1POLBHSD17B10KMT2AGAA
SCHEMBL13812024 0.75 ALDH1A1 (0.51) ALDH1A1POLBHSD17B10KMT2AGAA
SCHEMBL729028 0.75 ALDH1A1 (0.60) ALDH1A1POLBHSD17B10KMT2AGAA
SCHEMBL1477933 0.74 ALDH1A1 (0.57) ALDH1A1POLBHSD17B10KMT2AGAA
SCHEMBL133683 0.74 KMT2A (0.59) ALDH1A1POLBHSD17B10KMT2AGAA

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
US-5223529-A Nervous system and gastrointestinal disorders RHONE-POULENC SANTE (FR) 1993-06-29 US disclosed