SCHEMBL8328693

SCHEMBL8328693

N#CC1=CCN2CCCC2=C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.31
USP2 O75604 2/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 2/20 0.31
HTT P42858 2/20 0.31
RECQL P46063 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9026276 0.62 ALDH1A1 (0.32) MAPTALDH1A1
SCHEMBL8331281 0.62 NPC1 (0.31) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL10395893 0.58 KDM4E (0.46) MAPTALDH1A1MEN1POLBKMT2A
SCHEMBL7017325 0.57 MAPT (0.72) MAPTALDH1A1MEN1USP2KMT2A
SCHEMBL389739 0.57
SCHEMBL16785425 0.56
SCHEMBL8327801 0.56 AR (0.31) ALDH1A1
SCHEMBL254936 0.54 KMT2A (0.50) MAPTALDH1A1MEN1USP2LMNA
SCHEMBL497532 0.53 MAPT (0.38) MAPTALDH1A1LMNA
SCHEMBL15783522 0.52 ALOX15 (0.39) MAPTALDH1A1MEN1USP2LMNA

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