SCHEMBL11435538

SCHEMBL11435538

O=C(Nc1ccc(Nc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.51
▸ ERBB4 Q15303 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.49
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RXFP1 Q9HBX9 2/20 0.47
▸ AURKA O14965 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ IGF1R P08069 1/20 0.47
▸ EIF2AK2 P19525 1/20 0.47
▸ SYK P43405 1/20 0.47
▸ BMX P51813 1/20 0.47
▸ ULK1 O75385 1/20 0.47

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
SCHEMBL31396398 0.82 ENPP3 (0.61) TRPV1KMT2AMEN1LMNAPOLB
SCHEMBL11440431 0.78 KMT2A (0.42) EGFRERBB4KMT2AAURKALCK
SCHEMBL850437 0.77 HTT (0.62) KMT2AMEN1LMNASMN1; SMN2MAPT
SCHEMBL27606541 0.76 ENPP3 (0.66) TRPV1KMT2AMEN1TSHRLMNA
SCHEMBL24529989 0.75 F10 (0.58) TRPV1KMT2AMEN1TSHRRXFP1
Hydrochloric Acid SCHEMBL23245936 0.74 F10 (0.57) TRPV1RXFP1MAPTENPP3ENPP2
SCHEMBL21053183 0.72 MPO (0.51) KMT2AMEN1TSHRRXFP1AKR1C3
SCHEMBL31642971 0.71 KMT2A (0.48) KMT2AMEN1TSHRPOLBRXFP1
SCHEMBL5577029 0.70 LIPC (0.61) KMT2AMEN1TSHRLMNARXFP1
SCHEMBL11434273 0.69 RAB9A (0.51) TRPV1SMN1; SMN2MAPTAKR1C3AKR1C2

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
US-4181519-A Diphenylamine derivative herbicides SHELL OIL COMPANY (US) 1980-01-01 — — US disclosed
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