SCHEMBL9457465

SCHEMBL9457465

CCCc1nc(N)sc1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
COPS5 Q92905 2/20 0.38
DHFR P00374 1/20 0.38

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
SCHEMBL9457581 0.91 KCNH2 (0.45) POLBGAAMGAMSIMGAM2
SCHEMBL9710527 0.82 MAPT (0.42) POLBGAATSHRMAPTMEN1
SCHEMBL9427047 0.81 ALDH1A1 (0.50) POLBGAAMGAMSIMGAM2
SCHEMBL9457589 0.81 ALDH1A1 (0.42) POLBGAAALDH1A1MAPTMEN1
SCHEMBL9457594 0.81 POLB (0.39) POLBALDH1A1TDP1MAPTMEN1
SCHEMBL9710287 0.80 POLB (0.46) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL9457443 0.79 AOC3 (0.52) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9710500 0.79 BCL9 (0.39) POLBGAATSHRMAPTMEN1
SCHEMBL9457601 0.79 KCNH2 (0.47) POLBALDH1A1MAPTMEN1KMT2A
SCHEMBL9458234 0.77 MEN1 (0.43) POLBALDH1A1MAPTMEN1KMT2A

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
US-5192781-A Cardiovascular LABORATOIRES UPSA (FR) 1993-03-09 US disclosed
WO-1992021666-A1 ANGIOTENSIN II RECEPTOR ANTAGONIST THIAZOLE DEVIVATIVES LABORATOIRES UPSA (FR) 1992-12-10 WO disclosed