SCHEMBL7954849

SCHEMBL7954849

CCOC(=O)C1CCCCN1C(=O)c1cccnc1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
CYP2C19 P33261 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 4/20 0.47
FKBP1A P62942 6/20 0.47
OPRK1 P41145 1/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HCRTR2 O43614 1/20 0.44

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
SCHEMBL7589095 0.90 ALDH1A1 (0.52) POLBCYP2C19MEN1KMT2ATSHR
SCHEMBL7954837 0.89 CYP2C19 (0.65) POLBCYP2C19MEN1KMT2ATSHR
SCHEMBL7946411 0.89 CYP2C19 (0.48) POLBCYP2C19MEN1KMT2ATSHR
SCHEMBL13468059 0.84 TP53 (0.55) MEN1KMT2ATSHRALDH1A1FKBP1A
SCHEMBL7960177 0.84 TDP1 (0.48) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL13469108 0.82 KDM4E (0.54) POLBMEN1KMT2ATSHRALDH1A1
SCHEMBL20366865 0.81 ALDH1A1 (0.56) MEN1KMT2ATSHRALDH1A1FKBP1A
SCHEMBL15614467 0.81 MEN1 (0.52) MEN1KMT2ATSHRALDH1A1FKBP1A
SCHEMBL2157261 0.80 GAA (0.64) MEN1KMT2AALDH1A1FKBP1AKDM4E
SCHEMBL2157294 0.80 ALDH1A1 (0.47) MEN1KMT2ATSHRALDH1A1FKBP1A

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
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed