SCHEMBL10962102

SCHEMBL10962102

O=C(NCc1cc2c(CO)cccc2[nH]1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.48
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 1/20 0.44
HDAC6 Q9UBN7 2/20 0.44
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HSD17B10 Q99714 1/20 0.43
TTR P02766 1/20 0.43
MAPT P10636 2/20 0.43
CDK4 P11802 1/20 0.43

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
SCHEMBL10922113 0.82 HTR6 (0.40) IMPDH2MTNR1AMTNR1BHPGDALDH1A1
SCHEMBL5785504 0.78 SSTR3 (0.60) MTNR1AMTNR1BALDH1A1KDM4ENPC1
SCHEMBL2002472 0.78 HPGD (0.50) IMPDH2HPGDALDH1A1KDM4EMEN1
SCHEMBL10919830 0.76 MTNR1A (0.47) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL10919619 0.73 BCHE (0.56) MTNR1AMTNR1B
SCHEMBL10918935 0.72 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL10918951 0.71 LOXL2 (0.49) MTNR1AMTNR1BALDH1A1KDM4EMEN1
SCHEMBL10910311 0.71 MEN1 (0.42) MTNR1AMTNR1BMEN1KMT2ALMNA
SCHEMBL2004601 0.71 MEN1 (0.56) MTNR1AMTNR1BHPGDALDH1A1KDM4E
SCHEMBL3817884 0.70 CA2 (0.70) MTNR1AHPGDALDH1A1MEN1NPC1

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
EP-0076713-B1 AMINOMETHYL-1H-INDOLE-4-METHANOL DERIVATIVES AND THEIR SALTS, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1986-01-08 EP disclosed