SCHEMBL8328807

SCHEMBL8328807

O=C(O)c1c(Cl)c(-c2cccnc2Cl)n2c1C=CCC2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
IDO1 P14902 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 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
SCHEMBL7965560 0.90 HPGD (0.32) DHODHSMN1; SMN2LMNA
SCHEMBL7952437 0.90 DHODH (0.34) DHODHSMN1; SMN2LMNAMAPTPOLB
SCHEMBL8329410 0.89 DHODH (0.44) DHODHSMN1; SMN2LMNANPC1MAPT
SCHEMBL8329857 0.89 DHODH (0.38) DHODHSMN1; SMN2LMNAIDO1
SCHEMBL7965862 0.87 IDO1 (0.35) DHODHSMN1; SMN2LMNAMAPTIDO1
SCHEMBL8326689 0.86 DHODH (0.36) DHODHSMN1; SMN2LMNAIDO1POLB
SCHEMBL8329854 0.86 DHODH (0.36) DHODHSMN1; SMN2LMNAMAPTRAB9A
SCHEMBL8328157 0.86 DHODH (0.38) DHODHSMN1; SMN2LMNAMAPTIDO1
SCHEMBL7961833 0.82 DHODH (0.38) DHODHSMN1; SMN2LMNANPC1MAPT
SCHEMBL7962627 0.81 DHODH (0.37) DHODHSMN1; SMN2LMNANPC1MAPT

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 2 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