SCHEMBL5593373

SCHEMBL5593373

Cc1cc(F)c(-c2c(C)nc3ncnn3c2NCC(C)C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
MAPK1 P28482 3/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
ENPP1 P22413 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
EGLN2 Q96KS0 1/20 0.35
NPC1 O15118 1/20 0.35
GALR3 O60755 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5593471 0.89 ALDH1A1 (0.36) TSHRMAPK1ALOX15HTTSMN1; SMN2
SCHEMBL5593386 0.88 SMN1; SMN2 (0.35) TSHRMAPK1ALOX15HTTSMN1; SMN2
SCHEMBL5593411 0.88 SMN1; SMN2 (0.41) TSHRHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL5593361 0.87 EGLN2 (0.40) TSHRMAPK1ALOX15HTTALDH1A1
SCHEMBL5593451 0.85 MBOAT4 (0.42) TSHRMAPK1ALOX15HTTSMN1; SMN2
SCHEMBL5593434 0.84 MAPK1 (0.40) TSHRMAPK1ALOX15HTTSMN1; SMN2
SCHEMBL5593145 0.83 MAPK1 (0.40) TSHRMAPK1ALOX15HTTSMN1; SMN2
SCHEMBL5593155 0.82 MAPK1 (0.39) TSHRMAPK1ALOX15HTTSMN1; SMN2
SCHEMBL5593490 0.82 MAPK1 (0.39) TSHRMAPK1ALOX15HTTSMN1; SMN2
SCHEMBL5593223 0.81 TSHR (0.38) TSHRMAPK1ALOX15HTTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 WO claimed
WO-2007099092-A1 SUBSTITUTED 6-PHENYL-7-AMINO[1,2,4]-TRIAZOLO[1,5-a]PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2007-09-07 WO disclosed