SCHEMBL28259957

SCHEMBL28259957

CSc1cccc(C(=O)Nc2ccc(-c3cccc4c3C=CCC4)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 3/20 0.43
▸ ADCY8 P40145 1/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPK14 Q16539 6/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ MAPT P10636 2/20 0.39
▸ TNF P01375 1/20 0.39
▸ NOD2 Q9HC29 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 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
SCHEMBL28866664 0.85 PTPN1 (0.52) RAB9ASMN1; SMN2TP53MAPK14MEN1
SCHEMBL28259973 0.84 MAPT (0.52) RAB9ASMN1; SMN2TSHRMEN1KMT2A
SCHEMBL28261356 0.84 MAPT (0.49) RAB9ASMN1; SMN2TP53NPSR1MAPK14
SCHEMBL27972367 0.83 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL27972591 0.82 MAPK14 (0.39) RAB9ASMN1; SMN2TP53MAPK14MEN1
SCHEMBL27972362 0.82 LMNA (0.54) RAB9ANPSR1MAPK14MEN1KMT2A
SCHEMBL28259950 0.80 NPC1 (0.51) RAB9ASMN1; SMN2TSHRMEN1KMT2A
SCHEMBL28259952 0.80 PTPN1 (0.52) SMN1; SMN2MAPK14PARP1
SCHEMBL27972606 0.80 KDM4E (0.51) RAB9ASMN1; SMN2TP53MEN1KMT2A
SCHEMBL27972271 0.79 RAB9A (0.53) RAB9ASMN1; SMN2TP53NPSR1MEN1

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-108863959-B P2X4 receptor antagonists 日本化学药品株式会社 2021-11-30 — — CN disclosed
CN-111333588-A P2X4 receptor antagonists 日本化学药品株式会社 2020-06-26 — — CN disclosed
CN-110483423-A P2X4 receptor antagonist NIPPON CHEMIPHAR CO 2019-11-22 — — CN disclosed
CN-108863959-A P2X4 RECEPTOR ANTAGONIST 日本化学药品株式会社 2018-11-23 — — CN disclosed
Send feedback