SCHEMBL20076593

SCHEMBL20076593

C=C(Nc1cc(NC(=O)c2cc(C)ccc2C)c(F)cc1F)C(C)(C)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
KMT2A Q03164 2/20 0.38
TMPRSS4 Q9NRS4 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
P2RX1 P51575 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL20076572 0.77 IDH1 (0.40) SMN1; SMN2RAB9AMAPTLMNATSHR
SCHEMBL20076738 0.71 DHODH (0.32) SMN1; SMN2RAB9AMAPTLMNATP53
SCHEMBL21020826 0.68 MEN1 (0.43) SMN1; SMN2RAB9ALMNATSHRHSD17B10
SCHEMBL18160308 0.67 F10 (0.55) SMN1; SMN2RAB9ALMNANPC1KMT2A
SCHEMBL13848099 0.67 ALDH1A1 (0.46) SMN1; SMN2RAB9AMAPTLMNATSHR
SCHEMBL4599083 0.66 SMN1; SMN2 (0.49) SMN1; SMN2HSD17B10KMT2AMEN1ABCB1
SCHEMBL21021070 0.66 HDAC1 (0.59) SMN1; SMN2RAB9AMAPTLMNAHSD17B10
SCHEMBL14363357 0.66 TMPRSS4 (0.74) TSHRKMT2ATMPRSS4MEN1P2RX1
SCHEMBL3421898 0.66 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ALMNATSHRHSD17B10
SCHEMBL18160239 0.65 TAS1R3 (0.58) SMN1; SMN2RAB9AMAPTLMNANPC1

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
WO-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed