SCHEMBL27972308

SCHEMBL27972308

O=C(Nc1ccc(-c2cccc3c2C=CCC3)cc1)c1cccnc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ HTT P42858 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NR2E3 Q9Y5X4 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL27972621 0.88 NPC1 (0.42) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL28813725 0.86 GRM1 (0.46) KDM4E
SCHEMBL27972549 0.85 SMO (0.53) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL27972279 0.83 FADS1 (0.39) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL28426457 0.82 CHRNB2 (0.43) MEN1KMT2AALDH1A1ATMSMN1; SMN2
SCHEMBL27972550 0.82 GRM1 (0.43) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL28261342 0.81 MEN1 (0.52) MEN1KMT2ATDP1MAPTRAB9A
SCHEMBL28279915 0.81 MEN1 (0.49) MEN1KMT2ATDP1ALDH1A1ATM
SCHEMBL27972568 0.81 MEN1 (0.53) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL28427586 0.81 JAK2 (0.52) KMT2AALDH1A1MAPTRAB9ANPC1

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-104066724-A P2X4 receptor antagonists NIPPON CHEMIPHAR CO 2014-09-24 — — CN disclosed
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