SCHEMBL9800103

SCHEMBL9800103

O=C(NCCc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(CCNC(=O)C3CCCCC3)c2F)c1F)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.39
MTNR1B P49286 5/20 0.39
KMT2A Q03164 3/20 0.39
NQO2 P16083 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.36

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
SCHEMBL9800105 0.84 METAP2 (0.30)
SCHEMBL2834282 0.82 MTNR1A (0.35) MTNR1A
SCHEMBL9800226 0.81
SCHEMBL9800152 0.81 MTNR1A (0.35) MTNR1AMTNR1BNQO2
SCHEMBL482571 0.80 KMT2A (0.43) KMT2AKDM4EHSD17B10ALDH1A1TP53
SCHEMBL9800073 0.80 RECQL (0.39) MTNR1AKMT2ASMN1; SMN2
SCHEMBL9800114 0.78 MTNR1A (0.37) MTNR1AMTNR1BHSD17B10
SCHEMBL9800100 0.77 MTNR1A (0.41) MTNR1AKMT2AHSD17B10MEN1
SCHEMBL9800168 0.77 LMNA (0.37) KMT2AALDH1A1HTTTSHR
SCHEMBL2830870 0.77 DRD2 (0.36) KMT2AMEN1

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-5068371-A Photoinitiators for polymerization CIBA-GEIGY CORPORATION (US) 1991-11-26 US disclosed