SCHEMBL10818656

SCHEMBL10818656

O=C(NC1Cc2c[nH]c3cccc(c23)C1O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
CYP3A4 P08684 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 3/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
CYP2D6 P10635 3/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 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
SCHEMBL10814023 0.78 MEN1 (0.46) MEN1KMT2ACYP3A4ALDH1A1HSD17B10
SCHEMBL10815763 0.78 MEN1 (0.46) MEN1KMT2ACYP3A4ALDH1A1HSD17B10
SCHEMBL14348199 0.78 PYGL (0.46) MAPK1
SCHEMBL10817102 0.78 MTNR1A (0.44) MEN1KMT2ACYP3A4ALDH1A1HSD17B10
SCHEMBL11206777 0.75 ADRB2 (0.45) MEN1KMT2ACYP3A4ALDH1A1HSD17B10
SCHEMBL11210336 0.75 MEN1 (0.45) MEN1KMT2ACYP3A4ALDH1A1HSD17B10
SCHEMBL11209310 0.73 CYP3A4 (0.43) MEN1KMT2ACYP3A4ALDH1A1HSD17B10
SCHEMBL10669378 0.71 MTNR1A (0.40) MEN1KMT2ACYP3A4ALDH1A1HSD17B10
SCHEMBL10817817 0.71 MEN1 (0.46) MEN1KMT2ACYP3A4ALDH1A1HSD17B10
SCHEMBL11272560 0.70 ALDH1A1 (0.42) MEN1KMT2ACYP3A4ALDH1A1HSD17B10

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-0091328-B1 TRANS-4-AMINOBENZ(C,D)INDOL-5-OL DERIVATIVES, THEIR SALTS, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1987-11-11 EP disclosed
EP-0091328-A2 Trans-4-aminobenz(c,d)indol-5-ol derivatives, their salts, their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1983-10-12 EP disclosed