SCHEMBL9359287

SCHEMBL9359287

CN(C)CC=C(Oc1ccccc1)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
MEN1 O00255 2/20 0.40
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
DAO P14920 1/20 0.36
HPGDS O60760 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL9358954 0.81 KMT2A (0.41) KMT2AMEN1PLA2G1BATG4BMAPT
SCHEMBL9358968 0.78 ALDH1A1 (0.40) KMT2AALDH1A1
SCHEMBL14470888 0.78 DAO (0.42) KMT2AMEN1MAPTRAB9ASMN1; SMN2
SCHEMBL9359148 0.75 PLA2G7 (0.34) KMT2AMEN1NPC1
SCHEMBL9358928 0.72 LMNA (0.45) L3MBTL1LMNA
SCHEMBL27786730 0.71 NPC1 (0.41) KMT2AMEN1RAB9ASMN1; SMN2TSHR
SCHEMBL28071656 0.71 NPC1 (0.41) KMT2AMEN1RAB9ASMN1; SMN2TSHR
SCHEMBL7175541 0.71 KMT2A (0.50) KMT2AMEN1PLA2G1BATG4BMAPT
Fumaric Acid SCHEMBL10475671 0.71 ALDH1A1 (0.41) KMT2ARAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL9359294 0.70 MTNR1A (0.46) RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363782-B1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines ERBA CARLO SPA (IT) 1994-01-05 EP claimed
WO-1990003965-A1 ARYLOXY-, ARYLTHIO-, HETEROARYLOXY-, HETEROARYLTHIO-ALKENYLENE DERIVATIVES OF AMINES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-04-19 WO claimed
EP-0363782-A1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines FARMITALIA CARLO ERBA S.r.l. (IT) 1990-04-18 EP claimed
EP-0363782-B1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines ERBA CARLO SPA (IT) 1994-01-05 EP disclosed
US-5272144-A Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines and pharmaceutical use FARMITALIA CARLO ERBA S.R.L. (IT) 1993-12-21 US disclosed
WO-1990003965-A1 ARYLOXY-, ARYLTHIO-, HETEROARYLOXY-, HETEROARYLTHIO-ALKENYLENE DERIVATIVES OF AMINES FARMITALIA CARLO ERBA S.R.L. (IT) 1990-04-19 WO disclosed
EP-0363782-A1 Aryloxy-, arylthio-, heteroaryloxy-, heteroarylthio-alkenylene derivatives of amines FARMITALIA CARLO ERBA S.r.l. (IT) 1990-04-18 EP disclosed