SCHEMBL8325837

SCHEMBL8325837

COC1=Cc2c(C(=O)O)c(Cl)c(-c3cccnc3Cl)n2CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.38
IDO1 P14902 3/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.30
CYP2C19 P33261 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
SCHEMBL7965124 0.92 DHODH (0.32) DHODHPOLBAVPR2AVPR1AMAPT
SCHEMBL7952692 0.91 IDO1 (0.36) DHODHIDO1LMNASMN1; SMN2POLB
SCHEMBL7965202 0.91 HPGD (0.32) DHODHPOLBAVPR2AVPR1A
SCHEMBL8328950 0.90 DHODH (0.37) DHODHIDO1NPC1RAB9A
SCHEMBL7963272 0.82 GSK3B (0.32) DHODH
SCHEMBL8330546 0.81 CYP11B2 (0.37)
SCHEMBL7961829 0.81 IDO1 (0.35) IDO1LMNASMN1; SMN2KMT2AMAPT
SCHEMBL7952322 0.81 SQOR (0.34) DHODH
SCHEMBL7963438 0.80 ALDH1A1 (0.32) LMNARAB9AKMT2AMAPT
SCHEMBL7961927 0.80 IDO1 (0.35) DHODHIDO1LMNASMN1; SMN2POLB

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