SCHEMBL7410744

SCHEMBL7410744

COC(=O)c1cc(Cl)cc2c1OCCCN2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINH1 P50454 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ABL1 P00519 1/20 0.35
NR4A2 P43354 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
FUCA1 P04066 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDK2 Q15119 1/20 0.33
MAPT P10636 2/20 0.33

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
SCHEMBL7269670 0.92 SERPINH1 (0.40) SERPINH1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7409675 0.84 ALDH1A1 (0.37) KDM4EALDH1A1NR4A2SMN1; SMN2HPGD
SCHEMBL6777423 0.84 KDM4E (0.43) KDM4EALDH1A1ABL1SMN1; SMN2HPGD
SCHEMBL7406591 0.83 HSD17B10 (0.38) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL7410107 0.81 ALDH1A1 (0.35) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL7416511 0.80 YAP1 (0.41) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL6368737 0.80 ALDH1A1 (0.38) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7412325 0.79 ALDH1A1 (0.33) MEN1KMT2AKDM4EALDH1A1FUCA1
SCHEMBL7410791 0.78 KDM4E (0.36) SERPINH1KDM4EALDH1A1ABL1NR4A2
SCHEMBL857117 0.78 ALDH1A1 (0.47) SERPINH1MEN1KMT2AKDM4EALDH1A1

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-4935511-A Nervous system, gastrointestinal disorders RORER PHARMACEUTICAL CORPORATION (US) 1990-06-19 US disclosed