SCHEMBL8333307

SCHEMBL8333307

NC(=O)C1=C2CCCN2CC=C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
GFER P55789 1/20 0.35
YWHAG P61981 1/20 0.35
HTT P42858 2/20 0.34
PARP1 P09874 1/20 0.31
HPGD P15428 2/20 0.31
ALOX12 P18054 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CDC7 O00311 1/20 0.31
CDK9 P50750 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL692649 0.84 ALDH1A1 (0.38) NPC1KDM4EMEN1KMT2AMAPT
SCHEMBL1405534 0.78 SMN1; SMN2 (0.39) NPC1KDM4EMEN1KMT2AMAPT
SCHEMBL29154268 0.75
SCHEMBL19310813 0.63 PARP1 (0.33) PARP1
SCHEMBL627229 0.63
SCHEMBL16295438 0.62 PARP1 (0.33) MAPTHTTPARP1HPGDALDH1A1
SCHEMBL3682185 0.59 NPC1 (0.62) NPC1KDM4EMEN1KMT2AMAPT
SCHEMBL27274828 0.59 KDM4E (0.33) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL8580164 0.59 MAPT (0.35) NPC1KDM4EMEN1KMT2AMAPT
SCHEMBL3654065 0.58 NPC1 (0.96) NPC1KDM4EMEN1KMT2AMAPT

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-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP claimed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO claimed
EP-0946555-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma S.A. (FR) 1999-10-06 EP disclosed
WO-1998025925-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1998-06-18 WO disclosed