SCHEMBL31453528

SCHEMBL31453528

C=CCN(CC=C)C(=O)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
RAB9A P51151 2/20 0.46
LSS P48449 2/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
OPRD1 P41143 1/20 0.42
PTPN1 P18031 1/20 0.41
NPC1 O15118 1/20 0.41
NSD2 O96028 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
ALOX12 P18054 1/20 0.40
CCR6 P51684 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 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
SCHEMBL176438 0.90 MEN1 (0.47) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL8328125 0.86 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ALSSCES2CES1
SCHEMBL30578615 0.83 TSHR (0.46) SMN1; SMN2KMT2AMEN1CA1CA2
SCHEMBL9657085 0.83 ALDH5A1 (0.48) SMN1; SMN2RAB9AKMT2AMEN1OPRD1
SCHEMBL9067824 0.81 SMN1; SMN2 (0.49) SMN1; SMN2CES2CES1KMT2AMEN1
SCHEMBL1593720 0.81 KMT2A (0.45) SMN1; SMN2RAB9AKMT2AMEN1OPRD1
SCHEMBL14058649 0.81 KMT2A (0.45) SMN1; SMN2RAB9AKMT2AMEN1CA2
SCHEMBL3810149 0.81 MEN1 (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL31516874 0.81 ALDH1A1 (0.51) SMN1; SMN2CES2CES1KMT2AMEN1
SCHEMBL176484 0.81 TSHR (0.53) SMN1; SMN2KMT2AMEN1OPRD1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119930697-A Benzylidene o-halogenated Ru olefin metathesis catalyst and preparation and application thereof 中国石油天然气股份有限公司 2025-05-06 CN disclosed
CN-119930696-A Imidazole coordinated ruthenium carbene olefin metathesis catalyst, preparation and application thereof 中国石油天然气股份有限公司 2025-05-06 CN disclosed