SCHEMBL21021797

SCHEMBL21021797

C=C(c1cc(N)ccc1F)N(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL21021746 0.88 CES2 (0.33) ALDH1A1CYP3A4MAPTTDP1POLB
SCHEMBL21021731 0.87 SLC6A2 (0.35) KMT2ASLC6A2SLC6A4SIGMAR1
SCHEMBL21021872 0.83 MEN1 (0.46) L3MBTL1MAPTFAAHPHGDHMGLL
SCHEMBL18146425 0.82 POLB (0.50) KDM4EMAPTKMT2ALMNAPOLB
SCHEMBL21021755 0.79 LMNA (0.38) L3MBTL1ALDH1A1MAPTFAAHPHGDH
SCHEMBL21022306 0.78 HRH4 (0.35) ALDH1A1MAPTCA9
SCHEMBL21021848 0.78 CASP1 (0.36) KDM4EALDH1A1CYP3A4MAPTTDP1
SCHEMBL23864570 0.71 ALDH1A1 (0.35) KDM4EALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL18148126 0.70 GAA (0.46) CYP3A4MAPTKMT2APOLBMEN1
SCHEMBL18147761 0.70 PIK3CA (0.42) MAPTKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed