SCHEMBL7964306

SCHEMBL7964306

COc1c(C(C)=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 0.32
POLB P06746 2/20 0.32
AVPR2 P30518 1/20 0.32
AVPR1A P37288 1/20 0.32
FAAH O00519 2/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31
TUBB2B Q9BVA1 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
SCHEMBL8328157 0.92 DHODH (0.38) MAPTDHODHPOLBAVPR2AVPR1A
SCHEMBL7964894 0.91 MAPT (0.32) MAPTDHODHPOLBAVPR2AVPR1A
SCHEMBL7961242 0.91 IDO1 (0.34) MAPTDHODHPOLBAVPR2AVPR1A
SCHEMBL7963168 0.88 GSK3B (0.32) DHODHDRD2
SCHEMBL7952437 0.87 DHODH (0.34) MAPTDHODHPOLB
SCHEMBL7961833 0.86 DHODH (0.38) MAPTDHODHPOLBCYP2C19
SCHEMBL7963785 0.82 KDM4E (0.32) MAPTDHODH
SCHEMBL7967150 0.82 POLB (0.33) DHODHPOLB
SCHEMBL7965862 0.82 IDO1 (0.35) MAPTDHODHPOLB
SCHEMBL7963830 0.81 DHODH (0.36) MAPTDHODHPOLBCYP2C19

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
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