SCHEMBL9359402

SCHEMBL9359402

CNC(=O)C(=Cc1ccccc1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.42
AKR1C3 P42330 1/20 0.42
RAD51 Q06609 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RECQL P46063 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
DHODH Q02127 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL25728780 0.84 ABCG2 (0.57) ATMABCG2ALDH1A1TSHRAKR1C3
SCHEMBL9363622 0.83 MEN1 (0.44) ABCG2ALDH1A1KMT2AMEN1RECQL
SCHEMBL9562317 0.81 MEN1 (0.45) ABCG2ALDH1A1AKR1C3RAD51KMT2A
SCHEMBL7298723 0.81 AKR1C3 (0.50) ABCG2ALDH1A1TSHRAKR1C3RAD51
SCHEMBL7298719 0.81 AKR1C3 (0.50) ABCG2ALDH1A1TSHRAKR1C3RAD51
SCHEMBL1006524 0.80 AKR1C3 (0.48) ATMALDH1A1AKR1C3RAD51KMT2A
SCHEMBL10436436 0.77 MCL1 (0.47) ATMALDH1A1AKR1C3RAD51KMT2A
SCHEMBL9596666 0.77 LMNA (0.44) ATMABCG2ALDH1A1TSHRAKR1C3
SCHEMBL15941381 0.74 MEN1 (0.66) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL9359088 0.73 NPC1 (0.46) ABCG2ALDH1A1TSHRAKR1C3KMT2A

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 4 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 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