SCHEMBL6972381

SCHEMBL6972381

COc1ccc(OC)c2nc3ccccc3cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 9/20 0.63
NQO1 P15559 1/20 0.60
TLR8 Q9NR97 1/20 0.54
RAD52 P43351 1/20 0.53
UHRF1 Q96T88 1/20 0.53
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.47
POLB P06746 2/20 0.47
THRB P10828 2/20 0.47
BLM P54132 2/20 0.47
LMNA P02545 1/20 0.47
G6PD P11413 1/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL9406598 0.87 TLR8 (0.57) NQO2NQO1TLR8RAD52UHRF1
SCHEMBL31124812 0.87 NQO2 (0.56) NQO2NQO1TLR8RAD52UHRF1
SCHEMBL384865 0.83 NQO2 (0.55) NQO2NQO1TLR8RAD52UHRF1
SCHEMBL5796954 0.82 RAD52 (0.54) NQO2NQO1TLR8RAD52UHRF1
SCHEMBL2945567 0.81 MEN1 (0.50) NQO2NQO1TLR8RAD52UHRF1
SCHEMBL5799064 0.81 RAD52 (0.56) NQO2TLR8RAD52UHRF1MEN1
SCHEMBL240664 0.80 NQO2 (0.57) NQO2NQO1TLR8RAD52KMT2A
SCHEMBL30228371 0.80 NQO2 (0.67) NQO2TLR8MEN1KMT2ANPC1
SCHEMBL6239156 0.80 NQO2 (0.67) NQO2TLR8MEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL15271481 0.79 NQO2 (0.56) NQO2NQO1TLR8RAD52KMT2A

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
CN-107904201-A Differentiation of the human embryo stem cell to pancreatic endocrine pedigree 詹森生物科技公司 2018-04-13 CN claimed
CN-107904201-A Differentiation of the human embryo stem cell to pancreatic endocrine pedigree 詹森生物科技公司 2018-04-13 CN disclosed
EP-1200434-B1 NEW CYTOTOXIC PYRIDO 2,3,4-kl]ACRIDINE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE UNIV BARCELONA (ES) 2003-05-14 EP disclosed
US-6559161-B1 Method for treating a mammal affected by a malignant tumour, which comprises administering to a mammal in need of such treatment a therapeutically effective amount of a compound of formula (I), a pharmaceutically acceptable salt UNIVERSIDAD DE BARCELONA (ES) 2003-05-06 US disclosed