SCHEMBL8129144

SCHEMBL8129144

O=[N+]([O-])C=C(NCCC1CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 4/20 0.39
TMPRSS4 Q9NRS4 1/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
ACP1 P24666 1/20 0.36
QPCTL Q9NXS2 3/20 0.36
CXCR3 P49682 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR35 Q9HC97 1/20 0.34

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
SCHEMBL8129143 1.00 P2RX1 (0.39) P2RX1TMPRSS4LMNAMAPTACP1
SCHEMBL8127022 0.89 QPCTL (0.38) P2RX1TMPRSS4LMNAMAPTQPCTL
SCHEMBL8127023 0.89 QPCTL (0.38) P2RX1TMPRSS4LMNAMAPTQPCTL
SCHEMBL8138723 0.83 MEN1 (0.43) LMNAMAPTQPCTLMEN1KMT2A
SCHEMBL8138760 0.81 ALDH1A1 (0.41) P2RX1TMPRSS4LMNAMAPTACP1
SCHEMBL8138758 0.81 ALDH1A1 (0.41) P2RX1TMPRSS4LMNAMAPTACP1
SCHEMBL8135673 0.78 EPHX2 (0.45) P2RX1TMPRSS4LMNAMAPTQPCTL
SCHEMBL8135675 0.78 EPHX2 (0.45) P2RX1TMPRSS4LMNAMAPTQPCTL
SCHEMBL8134160 0.73 TP53 (0.47) P2RX1TMPRSS4LMNAMAPTMEN1
SCHEMBL8134161 0.73 TP53 (0.47) P2RX1TMPRSS4LMNAMAPTMEN1

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-6147098-A USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGIC SYSTEM NOVO NORDISK A/S (DK) 2000-11-14 US disclosed