SCHEMBL7964894

SCHEMBL7964894

COc1c(C(N)=O)c2n(c1-c1cccnc1Cl)CCC=C2

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
DHODH Q02127 1/20 0.31
SQOR Q9Y6N5 1/20 0.31
POLB P06746 3/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
AVPR2 P30518 1/20 0.31
AVPR1A P37288 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
FAAH O00519 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 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
SCHEMBL7964306 0.91 MAPT (0.32) MAPTDHODHPOLBAVPR2AVPR1A
SCHEMBL8328157 0.91 DHODH (0.38) MAPTDHODHPOLBAVPR2AVPR1A
SCHEMBL7961242 0.90 IDO1 (0.34) MAPTDHODHPOLBAVPR2AVPR1A
SCHEMBL7964216 0.88 SQOR (0.35) DHODHSQORCSNK1DCSNK1E
SCHEMBL7962627 0.86 DHODH (0.37) MAPTDHODHPOLBCSNK1DCSNK1E
SCHEMBL7965560 0.86 HPGD (0.32) DHODHHPGD
SCHEMBL7967502 0.82 GAA (0.32) MAPTHPGD
SCHEMBL7953686 0.82 POLB (0.31) DHODHPOLBHPGD
SCHEMBL7965862 0.81 IDO1 (0.35) MAPTDHODHPOLBHPGD
SCHEMBL7963830 0.80 DHODH (0.36) MAPTDHODHPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
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
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed
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