SCHEMBL14095085

SCHEMBL14095085

Clc1nc(-c2ccncc2)nc2c1SCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ RAB9A P51151 5/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ LATS1 O95835 2/20 0.33
▸ LATS2 Q9NRM7 2/20 0.33
▸ CFTR P13569 1/20 0.32
▸ HTT P42858 2/20 0.32
▸ TOP2A P11388 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 3/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL14095000 0.81 CYP19A1 (0.34) RAB9ASMN1; SMN2NPC1MAPTCYP19A1
SCHEMBL10575968 0.77 PDE4B (0.50) MEN1KMT2APDE4BPDE4DHTT
SCHEMBL588750 0.70 NPC1 (0.35) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL17476960 0.70 MEN1 (0.38) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL20011841 0.69 MEN1 (0.49) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL8491759 0.67 SMN1; SMN2 (0.33) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL13176522 0.67 SMN1; SMN2 (0.34) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL19995446 0.66 KMT2A (0.46) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL15662341 0.64 CYP19A1 (0.40) RAB9ASMN1; SMN2NPC1MAPTCYP19A1
SCHEMBL16682880 0.64 IDH1 (0.40) KMT2ARAB9ASMN1; SMN2NPC1MAPT

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
WO-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
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