SCHEMBL8329410

SCHEMBL8329410

Cc1c(C(=O)O)c2n(c1-c1cccnc1Cl)CCC=C2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.44
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.34
IDO1 P14902 1/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 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
SCHEMBL7961833 0.91 DHODH (0.38) DHODHSMN1; SMN2LMNACYP2C19KDM4E
SCHEMBL7962627 0.90 DHODH (0.37) DHODHSMN1; SMN2LMNACYP2C19MAPT
SCHEMBL8328807 0.89 DHODH (0.39) DHODHSMN1; SMN2LMNAIDO1CYP2C19
SCHEMBL7963830 0.88 DHODH (0.36) DHODHLMNAKMT2AIDO1CYP2C19
SCHEMBL8328134 0.87 DHODH (0.44) DHODHIDO1
SCHEMBL8328157 0.86 DHODH (0.38) DHODHSMN1; SMN2LMNAIDO1CYP2C19
SCHEMBL8329854 0.84 DHODH (0.36) DHODHSMN1; SMN2LMNAKDM4EMAPT
SCHEMBL8326689 0.84 DHODH (0.36) DHODHSMN1; SMN2LMNAIDO1POLB
SCHEMBL7952437 0.83 DHODH (0.34) DHODHSMN1; SMN2LMNAMAPTPOLB
SCHEMBL7965560 0.81 HPGD (0.32) DHODHSMN1; SMN2LMNA

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