SCHEMBL26406641

SCHEMBL26406641

O=C(NCP)NCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
EPHX2 P34913 1/20 0.61
TP53 P04637 1/20 0.58
LMNA P02545 2/20 0.57
PTPN1 P18031 1/20 0.57
PPID Q08752 1/20 0.54
P2RX7 Q99572 1/20 0.54
GAA P10253 1/20 0.53
CFD P00746 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
ALDH1A1 P00352 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51

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
SCHEMBL714625 0.89 EPHX1 (0.77) EPHX1SMN1; SMN2EPHX2TP53LMNA
SCHEMBL6033584 0.81 TP53 (0.75) EPHX1SMN1; SMN2EPHX2TP53LMNA
SCHEMBL6435482 0.80 EPHX2 (0.83) EPHX1SMN1; SMN2EPHX2TP53LMNA
SCHEMBL7393991 0.80 EPHX1 (0.65) EPHX1SMN1; SMN2EPHX2TP53LMNA
SCHEMBL1416043 0.80 EPHX1 (0.65) EPHX1SMN1; SMN2EPHX2TP53LMNA
SCHEMBL970225 0.80 SMN1; SMN2 (0.70) EPHX1SMN1; SMN2EPHX2TP53LMNA
SCHEMBL10910476 0.79 EPHX1 (0.63) EPHX1SMN1; SMN2EPHX2TP53LMNA
SCHEMBL6436358 0.78 EPHX2 (0.80) EPHX1SMN1; SMN2EPHX2TP53LMNA
SCHEMBL3418508 0.78 EPHX1 (1.00) EPHX1SMN1; SMN2EPHX2P2RX7MEN1
SCHEMBL20911008 0.78 RAB9A (0.75) EPHX1SMN1; SMN2EPHX2LMNAPTPN1

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
EP-4169901-A1 CARBAMATE PRODUCTION METHOD, CARBAMATE ESTER PRODUCTION METHOD, AND UREA DERIVATIVE PRODUCTION METHOD National Institute Of Advanced Industrial Science and Technology (JP) 2023-04-26 EP disclosed