SCHEMBL27652759

SCHEMBL27652759

Cc1ccc(-c2cccnc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
NFKB1 P19838 1/20 0.54
CASP3 P42574 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
DHODH Q02127 7/20 0.51
COMT P21964 1/20 0.47
SYK P43405 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
EGFR P00533 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL27945860 0.82 DHODH (0.51) NPC1RAB9ADHODHTDP1KDM4E
SCHEMBL3327536 0.81 DHODH (0.50) NPC1RAB9ADHODHTDP1KDM4E
SCHEMBL6170224 0.81 PIP4K2A (0.47) NPC1RAB9ANFKB1CASP3NFKB2
SCHEMBL3946376 0.80 DHODH (0.43) NPC1RAB9ADHODHL3MBTL1MKNK1
SCHEMBL22230633 0.80 DHODH (0.47) NPC1RAB9ADHODHTDP1MAPT
SCHEMBL24196102 0.80 DHODH (0.43) NPC1RAB9ANFKB1CASP3NFKB2
SCHEMBL15638509 0.80 RAB9A (0.54) NPC1RAB9ADHODHEGFRTDP1
SCHEMBL7662428 0.79 MKNK1 (0.61) DHODHCOMTSYKL3MBTL1MKNK1
SCHEMBL2459179 0.79 DHODH (0.43) NPC1RAB9ANFKB1CASP3NFKB2
SCHEMBL28047020 0.78 PTGS2 (0.56) NPC1RAB9ADHODHCOMTSYK

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101152185-B Use of heterocyclic compounds as SCCE inhibitors AREXIS AB 2010-12-08 CN disclosed
CN-100518740-C Pharmaceutical use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2009-07-29 CN disclosed
CN-101152185-A Use of heterocyclic compounds as scce inhibitors AREXIS AB (SE) 2008-04-02 CN disclosed
CN-1802160-A Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2006-07-12 CN disclosed