SCHEMBL19927823

SCHEMBL19927823

CCN(CCCC(=O)[O-])c1cc(OC)c(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ITPR1 Q14643 1/20 0.44
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NCOR2 Q9Y618 1/20 0.40
▸ HTR3A P46098 1/20 0.38
▸ SLC5A2 P31639 2/20 0.38
▸ P2RY2 P41231 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
SCHEMBL19927822 0.95 P2RY6 (0.48) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL14013337 0.93 MEN1 (0.49) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL14163350 0.93 MEN1 (0.46) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL14013334 0.91 MEN1 (0.45) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL4107893 0.90 P2RY6 (0.47) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL14013423 0.89 MEN1 (0.43) P2RY6MEN1BLMKMT2ATHRB
Hydrochloric Acid SCHEMBL3997760 0.89 MEN1 (0.42) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL14013427 0.88 P2RY6 (0.45) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL14013311 0.88 MEN1 (0.49) P2RY6MEN1BLMKMT2ATHRB
SCHEMBL14013342 0.88 HTR3A (0.44) P2RY6MEN1BLMKMT2ATHRB

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
US-9939454-B2 Fluorogenic pH sensitive dyes and their method of use Life Technologies Corporation (US) 2018-04-10 — — US disclosed
US-9910051-B2 Fluorogenic pH sensitive dyes and their method of use Life Technologies Corporation (US) 2018-03-06 — — US disclosed
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