SCHEMBL14020407

SCHEMBL14020407

CCCCN1C(=O)C(=C2Sc3ccc4ccccc4c3N2C)C(=O)N(CCCC)C1=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.44
▸ CYP2C19 P33261 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 8/20 0.42
▸ MEN1 O00255 7/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CYP2D6 P10635 3/20 0.41
▸ CYP1A2 P05177 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.34
▸ HTT P42858 3/20 0.34
▸ GLA P06280 1/20 0.34
▸ GPR55 Q9Y2T6 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
SCHEMBL11798122 0.80 SMN1; SMN2 (0.48) MAPTCYP2C19TDP1CYP2C9POLB
SCHEMBL13339007 0.79 KMT2A (0.49) MAPTCYP2C19TDP1POLBKMT2A
SCHEMBL14062690 0.77 NPC1 (0.41) MAPTCYP2C19TDP1CYP2C9HPGD
SCHEMBL13397664 0.75 DNMT1 (0.41) MAPTCYP2C19TDP1CYP2C9POLB
SCHEMBL12609636 0.72 SMN1; SMN2 (0.56) MAPTCYP2C19TDP1CYP2C9POLB
SCHEMBL14596635 0.71 SMN1; SMN2 (0.61) MAPTCYP2C19POLBKMT2AMEN1
SCHEMBL15370909 0.69 KMT2A (0.53) MAPTCYP2C19TDP1POLBHPGD
SCHEMBL14020215 0.68 CYP2C19 (0.37) MAPTCYP2C19TDP1CYP2C9POLB
SCHEMBL11994215 0.68 KMT2A (0.42) MAPTTDP1POLBHPGDKMT2A
SCHEMBL13069488 0.68 MEN1 (0.60) MAPTCYP2C19TDP1POLBHPGD

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
EP-1688466-B1 Ink composition, ink jet recording method, printed material, method of producing planographic printing plate, and planographic printing plate FUJIFILM CORP (JP) 2008-11-26 — — EP disclosed
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