SCHEMBL28419971

SCHEMBL28419971

O=C(Nc1ccc(-c2cccc3c2C=CCC3)cc1F)c1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ HTT P42858 1/20 0.40
▸ DHODH Q02127 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDR P35968 3/20 0.36
▸ JMJD7 P0C870 1/20 0.35
▸ NR4A1 P22736 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ NR4A3 Q92570 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL28396386 0.86 MAPT (0.40) MAPTHTTDHODHL3MBTL1ALDH1A1
SCHEMBL28259961 0.85 MEN1 (0.47) HTTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL28279915 0.84 MEN1 (0.49) HTTL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL28391966 0.81 SMN1; SMN2 (0.39) MAPTHTTALDH1A1RAB9AMEN1
SCHEMBL27972568 0.78 MEN1 (0.53) MAPTHTTL3MBTL1ALDH1A1RAB9A
SCHEMBL28392159 0.75 RAB9A (0.41) MAPTHTTALDH1A1RAB9ANPC1
SCHEMBL28261357 0.75 KDR (0.34) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL28420648 0.73 ALDH1A1 (0.45) MAPTDHODHALDH1A1RAB9AMEN1
SCHEMBL28426457 0.72 CHRNB2 (0.43) L3MBTL1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27972549 0.72 SMO (0.53) MAPTL3MBTL1RAB9AMEN1KMT2A

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 2 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
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