SCHEMBL7315540

SCHEMBL7315540

Cc1cn(-c2cc(Br)c(N)c(C(F)(F)F)c2)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADRB2 P07550 5/20 0.34
F2RL3 Q96RI0 1/20 0.33
MBOAT4 Q96T53 2/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HSD11B1 P28845 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31
HTT P42858 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

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
SCHEMBL10680998 0.82 TUBB4A (0.33) NR3C1NR3C2HTTTUBB4ATUBB
SCHEMBL7316258 0.81 HPGD (0.35) HPGDHSD17B10NR3C1NR3C2
SCHEMBL7317980 0.81 HPGD (0.35) HPGDHSD17B10MBOAT4HTTNOTUM
SCHEMBL10574492 0.80 HPGD (0.35) HPGDHSD17B10
SCHEMBL10574489 0.80 HPGD (0.35) HPGDHSD17B10
SCHEMBL7309063 0.78 HPGD (0.39) HPGDHSD17B10HSP90AA1HSP90AB1HSD11B1
SCHEMBL7321591 0.76 HPGD (0.32) HPGDHSD17B10
SCHEMBL30242169 0.74 NR2E1 (0.57) HPGDHSD17B10HSP90AA1HSP90AB1NR2E1
SCHEMBL4713291 0.73 NR2E1 (0.42) NR2E1NR3C1NR3C2
SCHEMBL13122900 0.70 NOTUM (0.37) HPGDHSD17B10HSP90AA1HSP90AB1HSD11B1

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-4900839-A SUBSTITUTED PHENYLPROPENAMIDES PFIZER INC. (US) 1990-02-13 US disclosed
US-4837334-A Precursors to quinolone inotropic agents PFIZER INC. (US) 1989-06-06 US disclosed
US-4728653-A CONGESTIVE HEART FAILURE PFIZER INC. (US) 1988-03-01 US disclosed
EP-0166533-A1 Quinolone inotropic agents Pfizer Limited (GB) 1986-01-02 EP disclosed