SCHEMBL27385186

SCHEMBL27385186

Cc1cc(Br)c2nc(N3Cc4ccccc4C3)[nH]c(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.41
▸ RAB9A P51151 1/20 0.40
▸ MGLL Q99685 3/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PARP1 P09874 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ GRIN2D O15399 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
SCHEMBL30721036 1.00 HTR3A (0.41) HTR3ARAB9AMGLLMAPTALDH1A1
SCHEMBL27385235 0.84 RAB9A (0.42) HTR3ARAB9AMGLLMAPTALDH1A1
SCHEMBL30720995 0.84 RAB9A (0.42) HTR3ARAB9AMGLLMAPTALDH1A1
SCHEMBL30720989 0.82 HDAC11 (0.40) HTR3ARAB9AMGLLMAPTALDH1A1
SCHEMBL27385200 0.82 HDAC11 (0.40) HTR3ARAB9AMGLLMAPTALDH1A1
SCHEMBL27385213 0.81 RAB9A (0.42) HTR3ARAB9AMGLLMAPTALDH1A1
SCHEMBL30721005 0.81 RAB9A (0.42) HTR3ARAB9AMGLLMAPTALDH1A1
SCHEMBL26125662 0.79 PARP1 (0.40) HTR3ARAB9AMGLLMAPTALDH1A1
SCHEMBL30783861 0.79 KMT2A (0.48) HTR3ARAB9AMGLLALDH1A1PARP1
SCHEMBL30682815 0.78 MGLL (0.41) HTR3ARAB9AMGLLMAPTPARP1

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
WO-2024081904-A1 METHODS FOR TREATING CANCER GENESIS THERAPEUTICS, INC. (US) 2024-04-18 — — WO disclosed
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