SCHEMBL21787672

SCHEMBL21787672

Cc1ccc2c([N+](=O)[O-])c(Cc3ccc4nc(C)ccc4c3[N+](=O)[O-])ccc2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
CTSB P07858 1/20 0.40
CTSH P09668 1/20 0.40
KMT2A Q03164 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 3/20 0.36
JAK2 O60674 1/20 0.36
MITF O75030 1/20 0.36
HTT P42858 1/20 0.36
PAX8 Q06710 1/20 0.36
MEN1 O00255 3/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL12130361 0.88 ALDH1A1 (0.66) ALDH1A1CTSBCTSHKMT2ASMN1; SMN2
SCHEMBL1225832 0.82 ALDH1A1 (1.00) ALDH1A1CTSBCTSHKMT2ASMN1; SMN2
SCHEMBL11160686 0.79 ALDH1A1 (0.71) ALDH1A1CTSBCTSHKMT2ASMN1; SMN2
SCHEMBL17926436 0.79 ALDH1A1 (0.71) ALDH1A1CTSBCTSHKMT2ASMN1; SMN2
SCHEMBL10783669 0.79 ALDH1A1 (0.71) ALDH1A1CTSBCTSHKMT2ASMN1; SMN2
SCHEMBL1335613 0.78 ALDH1A1 (0.69) ALDH1A1CTSBCTSHKMT2ASMN1; SMN2
SCHEMBL16915053 0.78 ALDH1A1 (0.69) ALDH1A1CTSBCTSHKMT2ASMN1; SMN2
SCHEMBL21787582 0.74 ALDH1A1 (0.44) ALDH1A1CTSBCTSHKMT2ASMN1; SMN2
SCHEMBL21787707 0.71 KDM4E (0.43) ALDH1A1KMT2ASMN1; SMN2RAB9APOLB
SCHEMBL31458425 0.70 ALDH1A1 (0.62) ALDH1A1CTSBCTSHKMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186720-B2 Quinophthalone compound DIC CORPORATION (JP) 2021-11-30 US disclosed
WO-2021117410-A1 QUINOPHTHALONE COMPOUND, PIGMENT COMPOSITION, AND COLOR FILTER DIC株式会社 2021-06-17 WO disclosed
WO-2020045197-A1 PIGMENT COMPOSITION, COLORING COMPOSITION AND COLOR FILTER DIC株式会社 2020-03-05 WO disclosed
WO-2020045200-A1 ALKYLENE COMPOUND, QUINOPHTHALONE COMPOUND, AND QUINOPHTHALONE MIXTURE DIC株式会社 2020-03-05 WO disclosed