SCHEMBL29972725

SCHEMBL29972725

Cc1nc(-c2ccc(Br)cn2)no1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
NTRK1 P04629 1/20 0.42
PIM1 P11309 1/20 0.42
CASP3 P42574 4/20 0.40
KDM4E B2RXH2 3/20 0.40
PKM P14618 3/20 0.39
TP53 P04637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 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
SCHEMBL6669276 1.00 L3MBTL1 (0.43) L3MBTL1NTRK1PIM1CASP3KDM4E
SCHEMBL14848254 0.82 CCR1 (0.54) L3MBTL1NTRK1PIM1CASP3KDM4E
SCHEMBL1656292 0.79 L3MBTL1 (0.43) L3MBTL1KDM4EMAPTHSD17B10GAA
SCHEMBL2644517 0.79 L3MBTL1 (0.43) L3MBTL1CASP3KDM4EPKMTP53
SCHEMBL24921562 0.78 RAB9A (0.56) L3MBTL1NTRK1PIM1KDM4EPKM
SCHEMBL14946757 0.77 CASP3 (0.42) L3MBTL1CASP3KDM4EPKMTP53
SCHEMBL30444561 0.76 L3MBTL1 (0.40) L3MBTL1CASP3KDM4EPKMMAPT
SCHEMBL13114624 0.76 L3MBTL1 (0.40) L3MBTL1KDM4EMAPTHSD17B10GAA
SCHEMBL14761932 0.76 L3MBTL1 (0.40) L3MBTL1CASP3KDM4EPKMMAPT
SCHEMBL15495537 0.76 CASP3 (0.56) L3MBTL1CASP3KDM4EMAPTNPSR1

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
CN-114845778-A Dihydrocyclopentaisoquinoline sulfonamide derivative compound UCB生物制药有限责任公司 2022-08-02 CN disclosed