SCHEMBL9316883

SCHEMBL9316883

Nc1cc(Cc2ccc([N+](=O)[O-])c(N)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.62
TSHR P16473 2/20 0.62
MAPT P10636 8/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 1/20 0.47
RECQL P46063 1/20 0.45
SIRT6 Q8N6T7 1/20 0.45
SNCA P37840 1/20 0.45
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL24074477 0.91 TDP1 (0.53) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL572190 0.85 TDP1 (0.58) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL2776011 0.85 MAPT (0.58) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL14467404 0.85 TDP1 (0.58) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL2929031 0.84 TDP1 (0.62) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL30989211 0.84 TDP1 (0.62) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL9820329 0.83 TDP1 (0.61) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL11494839 0.82 MAPT (0.56) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL28127450 0.82 TDP1 (0.55) TDP1TSHRMAPTLMNAALDH1A1
SCHEMBL4857085 0.80 TDP1 (0.53) TDP1TSHRMAPTLMNAALDH1A1

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
US-5276132-A Polyamic acid or polyimide having a steroidal skeleton providing a pretilt angle of 3 to 90 degrees; SBE(super twisted birefringence effect) and SH(super homeotropic) devices JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-01-04 US claimed
US-5276132-A Polyamic acid or polyimide having a steroidal skeleton providing a pretilt angle of 3 to 90 degrees; SBE(super twisted birefringence effect) and SH(super homeotropic) devices JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1994-01-04 US disclosed