SCHEMBL11044835

SCHEMBL11044835

Cc1cc([N+](=O)[O-])ccc1N.Nc1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.68
CYP3A4 P08684 2/20 0.68
ALDH1A1 P00352 2/20 0.68
TSHR P16473 4/20 0.53
CTSB P07858 2/20 0.48
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.43
GPR35 Q9HC97 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6815901 0.84 TDP1 (0.61) TDP1CYP3A4ALDH1A1TSHRCTSB
SCHEMBL297029 0.84 TDP1 (0.61) TDP1CYP3A4ALDH1A1TSHRCTSB
SCHEMBL85646 0.82 ALDH1A1 (1.00) TDP1CYP3A4ALDH1A1TSHRMAPT
Hydrochloric Acid SCHEMBL8873960 0.81 ALDH1A1 (0.96) TDP1CYP3A4ALDH1A1TSHRMAPT
Nitrogen SCHEMBL28729804 0.79 ALDH1A1 (0.92) TDP1CYP3A4ALDH1A1TSHRMAPT
Methyl Alcohol SCHEMBL28103605 0.79 ALDH1A1 (0.92) TDP1CYP3A4ALDH1A1TSHRMAPT
SCHEMBL2948384 0.75 TSHR (0.69) TDP1CYP3A4ALDH1A1TSHRMAPT
4-Chloro-2-Nitroaniline SCHEMBL11206094 0.75 TDP1 (0.70) TDP1CYP3A4ALDH1A1TSHRMAPT
Sulfuric Acid SCHEMBL10656288 0.74 ALDH1A1 (0.82) TDP1CYP3A4ALDH1A1TSHRMAPT
SCHEMBL31689625 0.73 TDP1 (0.75) TDP1CYP3A4ALDH1A1TSHRCTSB

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-4438245-A FOR LIGHT SENSITIVE ELEMENTS FUJI PHOTO FILM CO., LTD. (JP) 1984-03-20 US disclosed
US-4065430-A Functional group containing polymer and method of preparing the same FUJI PHOTO FILM CO., LTD. (JA) 1977-12-27 US disclosed
US-3936429-A Reactive polymer FUJI PHOTO FILM CO., LTD. (JA) 1976-02-03 US disclosed
US-3933885-A Cinnamylideneacetic acid esters FUJI PHOTO FILM CO., LTD. (JA) 1976-01-20 US disclosed