SCHEMBL9689302

SCHEMBL9689302

Cc1cc2cc(F)ccc2n1C(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
LMNA P02545 1/20 0.37
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
PRMT5 O14744 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL9769978 0.83 TSHR (0.42) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL1576398 0.82 PTGDR2 (0.51) ALDH1A1MEN1KMT2APTGDR2HTR2A
SCHEMBL10284105 0.80 HTR2C (0.41) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL20037330 0.80 KMT2A (0.46) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL27645781 0.78 KDM4E (0.41) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL9691149 0.77 PGR (0.46) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL4054875 0.74 KDM4E (0.53) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL9689228 0.72 PLK1 (0.44) ALDH1A1HSD17B10KDM4EHPGDLMNA
SCHEMBL2591249 0.71 KDM4E (0.49) ALDH1A1HSD17B10KDM4EHPGDPTGDR2
Hydrochloric Acid SCHEMBL9691581 0.71 PLK1 (0.43) ALDH1A1HSD17B10KDM4EHPGDLMNA

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-0171037-B1 3-CARBONYL-1-AMINOALKYL-1H-INDOLES USEFUL AS ANALGESICS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-06-17 EP disclosed
EP-0171037-A2 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1986-02-12 EP disclosed