SCHEMBL14197571

SCHEMBL14197571

Cc1ccc(Cc2c[nH]c3ncc(OCCN4CCOCC4)cc23)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ CSF1R P07333 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAP4K1 Q92918 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ACHE P22303 1/20 0.38

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
SCHEMBL14705849 0.89 NTRK1 (0.49) NTRK1CYP3A4KITLTA4HCSF1R
SCHEMBL15316822 0.87 CYP3A4 (0.44) NTRK1CYP3A4KITLTA4HCSF1R
SCHEMBL20376563 0.87 NTRK1 (0.52) NTRK1CYP3A4KITLTA4HNPC1
SCHEMBL1267483 0.83 CYP3A4 (0.54) NTRK1CYP3A4KITCSF1RDRD1
SCHEMBL1267328 0.81 CSF1R (0.68) NTRK1CYP3A4KITCSF1RDRD1
SCHEMBL15316826 0.78 LTA4H (0.42) CYP3A4LTA4HCSF1RCYP2C9CYP2C19
SCHEMBL12338615 0.78 CSF1R (0.57) CYP3A4KITLTA4HCSF1RDRD1
SCHEMBL14194083 0.77 CYP3A4 (0.40) NTRK1CYP3A4KITLTA4HCSF1R
SCHEMBL14197570 0.77 CSF1R (0.44) CYP3A4CSF1RCYP2C9CYP2C19KDM4E
SCHEMBL20037920 0.77 NPC1 (0.60) CYP3A4LTA4HNPC1MEN1KMT2A

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-2008064255-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 — — WO disclosed
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