SCHEMBL19635146

SCHEMBL19635146

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ 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
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ ESR1 P03372 1/20 0.30

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
SCHEMBL20281372 0.84 ABCB1 (0.40) ABCB1KDM4EHPGDUSP2ATM
SCHEMBL19846795 0.84 ABCB1 (0.53) ABCB1KDM4EALDH1A1USP2ATM
SCHEMBL20362560 0.84 ABCB1 (0.40) ABCB1USP2ATMCFTRPAX8
SCHEMBL21648602 0.83 AR (0.35) ABCB1KDM4EALDH1A1GAAHPGD
SCHEMBL21648600 0.82 MEN1 (0.43) USP2ATMMEN1KMT2ATHRB
SCHEMBL19635154 0.81 ABCB1 (0.33) ABCB1USP2ATMCFTRPAX8
SCHEMBL19635152 0.81 ABCB1 (0.39) ABCB1KDM4EALDH1A1GAAHPGD
SCHEMBL21165046 0.79 USP2 (0.35) ABCB1ALDH1A1GAAUSP2ATM
SCHEMBL19635158 0.79 MEN1 (0.42) ABCB1KDM4EALDH1A1TP53GAA
SCHEMBL12324196 0.78 ABCB1 (0.44) ABCB1KDM4EUSP2ATMCFTR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023026051-A1 METHOD FOR STAINING MITOCHONDRIA TOCRIS COOKSON LIMITED (GB) 2023-03-02 — — WO disclosed
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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