SCHEMBL7299189

SCHEMBL7299189

O=C(Cl)Cc1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
TSHR P16473 1/20 0.41
MC4R P32245 1/20 0.41
ADRA1A P35348 1/20 0.41
MC3R P41968 1/20 0.41
VNN1 O95497 1/20 0.40
KMT2A Q03164 2/20 0.37
PARP14 Q460N5 1/20 0.36
ROCK2 O75116 1/20 0.36
DAO P14920 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35

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
SCHEMBL874457 0.81 KDM4E (0.48) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL30373798 0.79 ADORA3 (0.50) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL15572404 0.79 IDO1 (0.48) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL15571198 0.79 KDM4E (0.47) IDO1HDAC3HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL1373071 0.79 KDM4E (0.47) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL15571571 0.79 KDM4E (0.47) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL1483374 0.79 ADORA3 (0.50) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL4086758 0.79 IDO1 (0.44) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL15572500 0.79 KDM4E (0.47) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL28788425 0.79 IDO1 (0.41) IDO1HDAC3HDAC1HDAC2HDAC6

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
US-6407114-B1 BENIGN PROSTATIC HYPERPLASIA, CARDIOVASCULAR, GASTROINTESTINAL AND RESPIRATORY DISORDER TREATMENT; ANTIASTHMATIC, ANTIALLERGEN, AND ANTIDIABETIC AGENTS PFIZER INC. 2002-06-18 US disclosed
EP-0995751-A2 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed