SCHEMBL8521664

SCHEMBL8521664

Nc1ccc(N=Nc2ccccc2C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ NOS3 P29474 2/20 0.40
▸ NOS1 P29475 2/20 0.40
▸ NOS2 P35228 2/20 0.40
▸ TNF P01375 1/20 0.39
▸ CXCL8 P10145 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ KLF5 Q13887 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL20258489 0.86 HTR3E (0.42) MAPK1TDP1TP53CYP3A4TSHR
SCHEMBL7567112 0.83 TSHR (0.44) MAPK1TDP1TP53CYP3A4TSHR
SCHEMBL16906397 0.80 MAPT (0.52) MAPK1TDP1TP53CYP3A4TSHR
SCHEMBL16906398 0.80 MAPT (0.52) MAPK1TDP1TP53CYP3A4TSHR
SCHEMBL23954017 0.78 IDO1 (0.54) TDP1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL18084255 0.78 FFAR4 (0.40) MAPK1TDP1TP53CYP3A4TSHR
SCHEMBL9657592 0.77 MEN1 (0.52) MAPK1TDP1TSHRSMN1; SMN2MEN1
SCHEMBL9657595 0.77 MEN1 (0.52) MAPK1TDP1TSHRSMN1; SMN2MEN1
SCHEMBL5982583 0.77 ALDH1A1 (0.50) MAPK1TDP1TP53CYP3A4TSHR
SCHEMBL5983562 0.77 ALDH1A1 (0.50) MAPK1TDP1TP53CYP3A4TSHR

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-5856430-A Process and materials for inducing pre-tilt in liquid crystals and liquid crystal displays ALLIANT TECHSYSTEMS INC. (US) 1999-01-05 — — US disclosed
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