SCHEMBL19698372

SCHEMBL19698372

FC(F)(F)c1ccc2c(c1)CCN(I)C2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 1/20 0.45
▸ NOTUM Q6P988 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ACACB O00763 1/20 0.41
▸ ESR1 P03372 3/20 0.41
▸ ESR2 Q92731 3/20 0.41
▸ DPP7 Q9UHL4 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ HTR2A P28223 3/20 0.39
▸ HTR2C P28335 3/20 0.39
▸ HTR2B P41595 3/20 0.39
▸ CNR2 P34972 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37
▸ TDP2 O95551 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
SCHEMBL12968836 0.79 MAOA (0.53) PHGDHNOTUMACACB
SCHEMBL15025140 0.79 NOTUM (0.44) PHGDHNOTUMHDAC6ACACBESR1
SCHEMBL2930510 0.78 ESR2 (0.54) PHGDHNOTUMHDAC6ACACBESR1
SCHEMBL13405606 0.77 NOTUM (0.46) PHGDHNOTUMHDAC6ACACBESR1
SCHEMBL16759871 0.76 ESR2 (0.53) PHGDHNOTUMHDAC6ACACBESR1
SCHEMBL3874010 0.76 ESR2 (0.72) PHGDHNOTUMHDAC6ACACBESR1
SCHEMBL29963966 0.76 ESR2 (0.72) PHGDHNOTUMHDAC6ACACBESR1
SCHEMBL17993834 0.76 TMEM97 (0.47) PHGDHNOTUMHDAC6ACACBDPP7
SCHEMBL29964619 0.76 ACACB (0.49) PHGDHNOTUMHDAC6ACACBDPP7
SCHEMBL16624019 0.76 ACACB (0.52) PHGDHNOTUMACACBDPP7

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-2017214539-A1 FLUORINATED 2-AMINO-4-(SUBSTITUTED AMINO)PHENYL CARBAMATE DERIVATIVES SCIFLUOR LIFE SCIENCES, INC. (US) 2017-12-14 — — WO disclosed
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