SCHEMBL7992188

SCHEMBL7992188

CCCNC(=N)c1cc[c]cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 2/20 0.33
EPHX1 P07099 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 2/20 0.31
THRB P10828 1/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX12 P18054 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
SCHEMBL7450887 0.89 SMN1; SMN2 (0.41) L3MBTL1KMT2APOLBGAAMAPT
SCHEMBL7985505 0.84
SCHEMBL28278912 0.80 KMT2A (0.47) L3MBTL1KMT2AALDH1A1EPHX1POLB
SCHEMBL6447487 0.78 PRSS1 (0.34) KDM4E
SCHEMBL2477903 0.77 KDM4E (0.56) L3MBTL1KMT2AKDM4EALDH1A1POLB
SCHEMBL6965037 0.77 POLB (0.44) L3MBTL1KMT2AKDM4EALDH1A1CYP1A2
SCHEMBL15846049 0.73 TAS1R3 (0.45) L3MBTL1KMT2AKDM4EALDH1A1THRB
SCHEMBL950244 0.73
SCHEMBL13094236 0.72 CHRNA10 (0.51) KMT2AALDH1A1MAPT
SCHEMBL7988218 0.72 HPGD (0.40) L3MBTL1KMT2AALDH1A1CYP2C19POLB

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-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed