SCHEMBL7833016

SCHEMBL7833016

CCC(C)N(CC(C)C)c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
ENPP1 P22413 4/20 0.33
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
PDE2A O00408 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
SCHEMBL7821854 0.92 KMT2A (0.36) KMT2AALDH1A1POLBTSHRENPP1
SCHEMBL7832550 0.87 KMT2A (0.32) KMT2AALDH1A1POLBTSHRENPP1
SCHEMBL7831889 0.86 ENPP1 (0.36) KMT2AALDH1A1POLBTSHRENPP1
SCHEMBL7821107 0.86 KMT2A (0.36) KMT2AALDH1A1POLBTSHRENPP1
SCHEMBL4819476 0.85 MAPK1 (0.39) KMT2AALDH1A1POLBTSHRENPP1
SCHEMBL4819577 0.81 ALDH1A1 (0.35) KMT2AALDH1A1POLBTSHRENPP1
SCHEMBL7833106 0.81 ENPP1 (0.36) KMT2AALDH1A1POLBTSHRENPP1
SCHEMBL4810611 0.81 ALDH1A1 (0.33) KMT2AALDH1A1POLBTSHRENPP1
SCHEMBL7833025 0.80 MAPK1 (0.44) KMT2AALDH1A1POLBTSHRENPP1
SCHEMBL4814293 0.80 KMT2A (0.33) KMT2AALDH1A1POLBTSHRENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297251-B1 Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID CO. 2001-10-02 US disclosed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP disclosed
US-6117876-A Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-09-12 US disclosed
EP-0975634-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-02-02 EP disclosed
WO-1998046607-A1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1998-10-22 WO disclosed