SCHEMBL11328569

SCHEMBL11328569

O=C(CNCc1ccc(C(F)(F)F)cc1)Nc1nccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 3/20 0.53
MAPT P10636 2/20 0.50
FFAR2 O15552 1/20 0.50
KDM4E B2RXH2 4/20 0.48
POLB P06746 1/20 0.48
EPHX2 P34913 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL11311373 0.86 NPC1 (0.61) MAPTFFAR2KDM4EPOLBMEN1
Hydrochloric Acid SCHEMBL11318580 0.85 NPC1 (0.60) MAPTFFAR2KDM4EPOLBMEN1
SCHEMBL1358311 0.83 KDM4E (0.67) FFAR2KDM4EPOLBSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL11320673 0.82 FFAR2 (0.70) MAPTFFAR2KDM4EPOLBMEN1
Hydrochloric Acid SCHEMBL11318575 0.82 KDM4E (0.67) MAPTFFAR2KDM4EPOLBMEN1
Hydrochloric Acid SCHEMBL1358374 0.82 KDM4E (0.65) FFAR2KDM4EPOLBSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL11314938 0.80 RAB9A (0.66) KDM4EPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL9618481 0.77 SCN3A (0.60) SCN3AMAPTKDM4EPOLBEPHX2
SCHEMBL11329655 0.77 MEN1 (0.55) MAPTKDM4EPOLBEPHX2MEN1
Trifluoromethylbenzene SCHEMBL10350569 0.75 MEN1 (0.65) POLBMEN1KMT2ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4305949-A ANTIINFLAMMATORY AGENTS AND IMMUNOREGULATORY AGENTS PFIZER INC. (US) 1981-12-15 US disclosed
EP-0005070-B1 N-(2-THIAZOLYL)AMIDES AND THEIR USE AS ANTI-INFLAMMATORY AND IMMUNOREGULATORY AGENTS PFIZER INC. (US) 1981-12-09 EP disclosed
EP-0005070-A2 N-(2-thiazolyl)amides and their use as anti-inflammatory and immunoregulatory agents PFIZER INC. (US) 1979-10-31 EP disclosed