SCHEMBL23891722

SCHEMBL23891722

C=C(CCC(C)C)c1ccc(F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.34
KMT2A Q03164 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33

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
SCHEMBL16795842 0.76 MAOA (0.48) MAOAMAOBTSHRSMN1; SMN2TAS1R3
SCHEMBL17411439 0.76 MAOA (0.48) MAOAMAOBTSHRSMN1; SMN2TAS1R3
SCHEMBL27758033 0.76 MAOA (0.48) MAOAMAOBTSHRSMN1; SMN2TAS1R3
SCHEMBL23891634 0.76 MAOA (0.47) MAOAMAOBSMN1; SMN2HPGD
SCHEMBL25555258 0.76 HTT (0.50) SMN1; SMN2LMNATAS1R3TAS1R1MEN1
SCHEMBL23891544 0.74 CES2 (0.43) MAOAMAOB
SCHEMBL23891540 0.73 CES2 (0.35)
SCHEMBL7982038 0.72 MAOA (0.43) MAOAMAOBTSHRKDM4ESMN1; SMN2
SCHEMBL8252464 0.70 KCNQ3 (0.44) MAOAMAOBTSHRSMN1; SMN2TAS1R3
SCHEMBL19750356 0.70 TSHR (0.46) MAOAMAOBTSHRKDM4ESMN1; SMN2

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-3889138-A1 HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF Hinova Pharmaceuticals Inc. (CN) 2021-10-06 EP disclosed