SCHEMBL30136607

SCHEMBL30136607

O=[N+]([O-])c1cnc(N2CC(F)C2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.46
▸ HCRTR2 O43614 1/20 0.46
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ DPP4 P27487 1/20 0.34
▸ PREP P48147 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34

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
SCHEMBL15059750 0.83 HCRTR1 (0.44) HCRTR1HCRTR2MAPTALDH1A1ALOX12
SCHEMBL31177639 0.82 HCRTR1 (0.42) HCRTR1HCRTR2MAPTALDH1A1ALOX12
SCHEMBL20476237 0.80 ALDH1A1 (0.40) HCRTR1HCRTR2MAPTALDH1A1ALOX12
SCHEMBL30615503 0.79 MAPT (0.65) MAPTALDH1A1ALOX12LMNANPSR1
SCHEMBL31492307 0.79 HTT (0.51) HCRTR1HCRTR2MAPTALDH1A1ALOX12
SCHEMBL21464265 0.79 MAPT (0.65) MAPTALDH1A1ALOX12LMNANPSR1
SCHEMBL1671875 0.79 HCRTR1 (0.44) HCRTR1HCRTR2MAPTALDH1A1ALOX12
SCHEMBL30136676 0.77 MAPT (0.57) MAPTALDH1A1ALOX12LMNANPSR1
SCHEMBL4966461 0.77 MAPT (0.62) MAPTALDH1A1ALOX12LMNANPSR1
SCHEMBL30933194 0.76 MAPT (0.41) HCRTR1HCRTR2MAPTALDH1A1ALOX12

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
WO-2024199430-A1 PI3Kα INHIBITOR COMPOUND, PHARMACEUTICAL COMPOSITION, AND USE THEREOF 长春金赛药业有限责任公司 2024-10-03 — — WO disclosed
CN-117813293-A Urea derivatives useful for the treatment of cancer 蝎子疗法股份有限公司 2024-04-02 — — CN disclosed
EP-4334298-A1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER Scorpion Therapeutics, Inc. (US) 2024-03-13 — — EP disclosed
WO-2022265993-A1 UREA DERIVATIVES WHICH CAN BE USED TO TREAT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-12-22 — — WO disclosed
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