SCHEMBL16401692

SCHEMBL16401692

Nc1cc2c(O)cccn2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.35
EGFR P00533 2/20 0.33
PLAU P00749 1/20 0.32
NCF1 P14598 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
JAK2 O60674 1/20 0.31
JAK3 P52333 1/20 0.31
PTK2 Q05397 1/20 0.31
BRD4 O60885 1/20 0.31
NR1I2 O75469 1/20 0.31
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
PBRM1 Q86U86 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL13731252 0.77 AHR (0.38) MAP4K4EGFR
SCHEMBL2960189 0.73 TGFBR1 (0.33) EGFRTSHRLMNAMAPTKDR
SCHEMBL30967550 0.73 JAK2 (0.50) JAK2JAK3SMN1; SMN2TDP1
SCHEMBL22110128 0.73 MAP4K4 (0.33) MAP4K4EGFRTSHRTDP1
SCHEMBL29846190 0.67 PDPK1 (0.41) CYP1A2PDPK1KDR
SCHEMBL30967648 0.67 MCHR1 (0.44) TSHRJAK2MEN1LMNACYP1A2
Formic Acid SCHEMBL30454470 0.67 HDAC6 (0.31) LMNA
SCHEMBL2959947 0.67 MAP4K4 (0.39) MAP4K4EGFRALOX15JAK2JAK3
SCHEMBL2849283 0.65 MAP4K4 (0.46) MAP4K4MAPTSMN1; SMN2TDP1
SCHEMBL2640482 0.65 JAK2 (0.54) MAP4K4JAK2JAK3PTK2MEN1

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
EP-3021827-A1 DYE COMPOSITION COMPRISING A PARTICULAR AMPHOTERIC SURFACTANT AND A SULFATE OR SULFONATE SURFACTANT L'OREAL (FR) 2016-05-25 EP disclosed
WO-2015007917-A1 DYE COMPOSITION COMPRISING A PARTICULAR AMPHOTERIC SURFACTANT AND A SULFATE OR SULFONATE SURFACTANT L'OREAL (FR) 2015-01-22 WO disclosed