SCHEMBL28660202

SCHEMBL28660202

NC(=O)Oc1cccc(OCCBr)c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
PRSS1 P07477 9/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NSD2 O96028 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PARP10 Q53GL7 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PRSS2 P07478 1/20 0.40
C1S P09871 1/20 0.40
PRSS3 P35030 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
SCHEMBL29053196 0.91 MEN1 (0.59) KMT2AMEN1PRSS1KDM4EALDH1A1
SCHEMBL4576561 0.83 LMNA (0.54) KMT2AMEN1MTNR1AMTNR1BKDM4E
SCHEMBL4990119 0.82 KMT2A (0.65) KMT2AMEN1
SCHEMBL8155382 0.82 SMN1; SMN2 (0.50) PRSS1ALDH1A1SMN1; SMN2
SCHEMBL79713 0.80 KMT2A (0.61) KMT2AMEN1
SCHEMBL19743595 0.80 ACHE (0.52) MTNR1AMTNR1BKDM4ENSD2ALDH1A1
SCHEMBL29053207 0.78 MEN1 (0.59) KMT2AMEN1PRSS1KDM4EALDH1A1
SCHEMBL7249861 0.78 KMT2A (0.47) KMT2AKDM4EALDH1A1
SCHEMBL2721243 0.76 KMT2A (0.66) KMT2AMEN1PARP10
SCHEMBL28741221 0.75 MEN1 (0.65) KMT2AMEN1MTNR1AKDM4EALDH1A1

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
CN-109563073-B For the treatment of para-5-HT1AReceptor-controlled serotonergic disease-modulating compounds 诺罗利西斯公司 2021-12-07 CN disclosed