SCHEMBL17833425

SCHEMBL17833425

O=C(CSc1nnc(-c2ccco2)[nH]1)N1c2ccccc2Oc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
KMT2A Q03164 7/20 0.50
MEN1 O00255 5/20 0.50
HSD17B10 Q99714 3/20 0.50
POLB P06746 3/20 0.50
HPGD P15428 1/20 0.50
BLM P54132 1/20 0.50
TSHR P16473 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
USP2 O75604 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
PKM P14618 1/20 0.44
MAPT P10636 4/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
ENPP2 Q13822 1/20 0.41
HTT P42858 2/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL12310045 0.86 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1HSD17B10POLB
SCHEMBL13831426 0.73 MAPT (0.60) ALDH1A1KMT2AMEN1POLBHPGD
SCHEMBL6410649 0.70 ALPG (0.66) ALDH1A1KMT2AMEN1HSD17B10POLB
SCHEMBL13096451 0.69 MAPT (0.66) ALDH1A1KMT2AMEN1HSD17B10POLB
SCHEMBL13831868 0.67 POLB (0.64) ALDH1A1KMT2AMEN1POLBHPGD
SCHEMBL16896272 0.67 POLB (0.45) ALDH1A1KMT2AMEN1HSD17B10POLB
SCHEMBL15986452 0.67 ANXA2 (0.54) ALDH1A1KMT2AMEN1POLBHPGD
SCHEMBL20159334 0.67 HPGD (0.58) ALDH1A1KMT2AMEN1HSD17B10POLB
SCHEMBL30619609 0.65 HPGD (0.52) ALDH1A1KMT2AMEN1HSD17B10POLB
SCHEMBL28648414 0.65 HPGD (0.52) ALDH1A1KMT2AMEN1HSD17B10POLB

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-20160171150-A1 Chemical Modulators of Pro-Apoptotic BAX and BCL-2 Polypeptides DANA-FARBER CANCER INSTITUTE, INC. 2016-06-16 US disclosed