SCHEMBL264702

SCHEMBL264702

CCCN(CCC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.85
KDM4E B2RXH2 1/20 0.85
POLB P06746 1/20 0.85
GAA P10253 1/20 0.85
KMT2A Q03164 4/20 0.80
MEN1 O00255 3/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
L3MBTL1 Q9Y468 1/20 0.80
BCL2L1 Q07817 2/20 0.46
MCL1 Q07820 2/20 0.46
RECQL P46063 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
CDC25B P30305 3/20 0.42
CDC25A P30304 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL10933445 0.95 ALDH1A1 (0.95) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL10780555 0.95 KMT2A (0.85) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL267885 0.92 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL3660975 0.91 ALDH1A1 (0.93) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL264913 0.90 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL3656127 0.90 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL3659209 0.90 ALDH1A1 (0.91) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL39206 0.89 KMT2A (1.00) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL9629674 0.88 ALDH1A1 (0.71) ALDH1A1KDM4EPOLBGAAKMT2A
SCHEMBL11080174 0.86 ALDH1A1 (0.84) ALDH1A1KDM4EPOLBGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8134017-B1 Compound and use thereof RIKEN (JP) 2012-03-13 US disclosed
US-4594601-A Fluoran compounds HODOGAYA CHEMICAL CO., LTD. (JP) 1986-06-10 US disclosed
EP-0048026-B1 HEAT SENSITIVE RECORD SHEET HODOGAYA CHEMICAL CO., LTD. (JP) 1984-12-19 EP disclosed
EP-0107780-A2 Fluoran compounds HODOGAYA CHEMICAL CO., LTD. (JP) 1984-05-09 EP disclosed
US-4364999-A 2-(2-CHLOROPHENYL)AMINO-6-DI-PROPYL-OR BUTYL-AMINOFLUORAN HODOGAYA CHEMICAL CO., LTD. (JP) 1982-12-21 US disclosed
EP-0048026-A1 Heat sensitive record sheet HODOGAYA CHEMICAL CO., LTD. (JP) 1982-03-24 EP disclosed
US-4052398-A DIAZARHODAMINE-LACTONES, THEIR MANUFACTURE AND THEIR USE AS DYE INTERMEDIATES FOR COPYING PROCESSES BASF AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed