SCHEMBL28655200

SCHEMBL28655200

CC(C)(NC(=O)c1ccc(Cl)c(Cl)c1)c1cn(CCO)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ MAPT P10636 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ DGAT1 O75907 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ APOBEC3A P31941 1/20 0.37
▸ APOBEC3G Q9HC16 1/20 0.37
▸ MAOB P27338 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL28664297 0.90 MAPT (0.40) HPGDPOLBHTTMAPTALDH1A1
SCHEMBL28670315 0.88 MAPT (0.47) HPGDMAPTALDH1A1NPSR1KCNH2
SCHEMBL30271525 0.86 MAPT (0.39) HPGDPOLBHTTMAPTALDH1A1
SCHEMBL28658947 0.85 KCNH2 (0.37) KCNH2CACNA1IMEN1KMT2AGRN
SCHEMBL28664307 0.85 HPGD (0.38) HPGDPOLBHTTMAPTALDH1A1
SCHEMBL28668938 0.81 SMPD1 (0.36) POLBMAPTNPSR1KCNH2NPC1
SCHEMBL28671206 0.81 NTRK1 (0.37) POLBMAPTKDM4E
SCHEMBL28656141 0.80 ALDH1A1 (0.39) HPGDMAPTALDH1A1NPSR1KCNH2
SCHEMBL28654023 0.80 HDAC3 (0.43) MAPTALDH1A1NPSR1CYP1A2CYP2C9
SCHEMBL28673180 0.80 KDM4E (0.42) POLBMAPTALDH1A1CYP1A2RECQL

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-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 — — CN disclosed
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