SCHEMBL9204871

SCHEMBL9204871

CCCCCCC[N]Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
EPHX2 P34913 2/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 2/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KCNA3 P22001 2/20 0.42
CETP P11597 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 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
SCHEMBL617341 1.00 DNM1 (0.46) DNM1MEN1KMT2AEPHX2TP53
SCHEMBL9205311 1.00 DNM1 (0.46) DNM1MEN1KMT2AEPHX2TP53
SCHEMBL9214128 1.00 DNM1 (0.46) DNM1MEN1KMT2AEPHX2TP53
SCHEMBL9209833 1.00 DNM1 (0.46) DNM1MEN1KMT2AEPHX2TP53
SCHEMBL9210794 1.00 DNM1 (0.46) DNM1MEN1KMT2AEPHX2TP53
SCHEMBL10821498 1.00 DNM1 (0.46) DNM1MEN1KMT2AEPHX2TP53
SCHEMBL9819726 0.98 SIGMAR1 (0.44) DNM1MEN1KMT2AEPHX2TP53
SCHEMBL2776492 0.92 TP53 (0.42) DNM1MEN1KMT2AEPHX2TP53
SCHEMBL9819966 0.84 KCNH2 (0.61) TP53KCNH2SIGMAR1CYP3A4
SCHEMBL9212818 0.84 SIGMAR1 (0.52) DNM1MEN1KMT2AEPHX2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP disclosed