SCHEMBL30341012

SCHEMBL30341012

COCc1ccnc(C(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.50
CYP4A11 Q02928 2/20 0.50
OPRM1 P35372 7/20 0.41
CSF1R P07333 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MMP12 P39900 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 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
SCHEMBL12501290 0.85 ALDH1A1 (0.43) CYP4F2CYP4A11LMNATP53GABRP
SCHEMBL15746649 0.85 MRGPRX4 (0.51) CYP4F2CYP4A11LMNATP53GABRP
SCHEMBL7083009 0.83 PARP1 (0.49) LMNAGABRPGABRDGABRA1GABRB1
SCHEMBL4310539 0.81 CYP4F2 (0.46) CYP4F2CYP4A11OPRM1CSF1RMMP12
SCHEMBL2677778 0.81 SMYD3 (0.54) CYP4F2CYP4A11OPRM1GABRPGABRD
SCHEMBL13945542 0.81 PARP1 (0.48) CSF1RLOXL2
SCHEMBL2176535 0.79 LOXL2 (0.56) CYP4F2CYP4A11GABRPGABRDGABRA1
SCHEMBL30193091 0.79 RECQL (0.50) CYP4F2CYP4A11GABRPGABRDGABRA1
SCHEMBL20377228 0.79 CYP4F2 (0.45) CYP4F2CYP4A11CSF1RGABRPGABRD
SCHEMBL2328151 0.79 RECQL (0.50) CYP4F2CYP4A11GABRPGABRDGABRA1

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-111886219-B Immunosuppressant, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-04-25 CN disclosed