SCHEMBL19635154

SCHEMBL19635154

O=C([O-])Cc1ccccc1-c1c2ccc(=[N+]3CCC3)cc-2oc2cc(N3CCC3)ccc12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.33
▸ USP2 O75604 2/20 0.32
▸ ATM Q13315 2/20 0.32
▸ CFTR P13569 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ GOPC Q9HD26 1/20 0.32
▸ ASAH1 Q13510 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PLEC Q15149 1/20 0.31

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
SCHEMBL19635152 0.89 ABCB1 (0.39) ABCB1USP2ATMCFTRPAX8
SCHEMBL20362560 0.86 ABCB1 (0.40) ABCB1USP2ATMCFTRPAX8
SCHEMBL20281372 0.84 ABCB1 (0.40) ABCB1USP2ATMCFTRPAX8
SCHEMBL26505115 0.83 ABCB1 (0.40) ABCB1USP2ATMCFTRPAX8
SCHEMBL19846795 0.81 ABCB1 (0.53) ABCB1USP2ATMCFTRPAX8
SCHEMBL19635146 0.81 ABCB1 (0.33) ABCB1USP2ATMCFTRPAX8
SCHEMBL12324196 0.77 ABCB1 (0.44) ABCB1USP2ATMCFTRPAX8
SCHEMBL26505087 0.77 ABCB1 (0.30) ABCB1
SCHEMBL21648602 0.77 AR (0.35) ABCB1KMT2A
SCHEMBL21165046 0.77 USP2 (0.35) ABCB1USP2ATMCFTRPAX8

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-2017201531-A1 PHOTOACTIVE FLUOROPHORES AND METHODS OF IN VIVO LABELING HOWARD HUGHES MEDICAL INSTITUTE (US) 2017-11-23 — — WO disclosed
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