SCHEMBL8896372

SCHEMBL8896372

N#Cc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.46
XDH P47989 1/20 0.45
CTSK P43235 6/20 0.45
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 2/20 0.40
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL8898393 0.79 ATR (0.44) CTSSXDHCTSKALDH1A1SMN1; SMN2
SCHEMBL2159069 0.73 ALDH1A1 (0.36) CTSSCTSKALDH1A1SMN1; SMN2MEN1
SCHEMBL30032746 0.73 ALDH1A1 (0.36) CTSSCTSKALDH1A1SMN1; SMN2MEN1
SCHEMBL25354009 0.73 MAP2K3 (0.48) ALDH1A1KDM1ATRPV3
SCHEMBL3106495 0.73 CTSK (0.59) CTSSXDHCTSKCYP3A4ADORA2A
SCHEMBL8895977 0.72 CTSS (0.42) CTSSXDHCTSKALDH1A1SMN1; SMN2
SCHEMBL29725050 0.71 CYP11B2 (0.47) ALDH1A1SMN1; SMN2ADORA2AADORA1CYP11B1
SCHEMBL19384228 0.71 CYP11B2 (0.47) ALDH1A1SMN1; SMN2ADORA2AADORA1CYP11B1
SCHEMBL14389555 0.71 KDM1A (0.43) CTSSCTSKALDH1A1KDM1ATRPV3
SCHEMBL19406864 0.70 PIK3CD (0.36) ALDH1A1LMNAADORA2AADORA1

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-5639753-A CONTROLLING INSECTS IN AGRICULTURE CROPS FMC CORPORATION (US) 1997-06-17 US disclosed
US-5532367-A LARVICIDES FMC CORPORATION (US) 1996-07-02 US disclosed
US-5521190-A USEFUL AGAINST TOBACCO BUDWORM FMC CORPORATION (US) 1996-05-28 US disclosed
WO-1994027439-A1 INSECTICIDAL PTERIDINES AND 8-DEAZAPTERIDINES FMC CORPORATION (US) 1994-12-08 WO disclosed