SCHEMBL22729372

SCHEMBL22729372

O=[N+]([O-])c1nc2cccc([N+](=O)[O-])c2c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GPR35 Q9HC97 2/20 0.43
TSHR P16473 2/20 0.43
TYMS P04818 1/20 0.43
POLB P06746 2/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 3/20 0.41
PDE10A Q9Y233 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL28528656 0.74 CYP3A4 (0.48) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL28042625 0.74 MEN1 (0.66) ALDH1A1GPR35TSHRPOLBTXNRD1
SCHEMBL26616688 0.70 ALDH1A1 (0.44) ALDH1A1GPR35TSHRTYMSPOLB
SCHEMBL26616704 0.70 GPR35 (0.48) ALDH1A1GPR35TSHRTYMSPOLB
SCHEMBL6972440 0.70 DHFR (0.57) ALDH1A1TYMSTXNRD1TXNRD3TXNRD2
SCHEMBL11667039 0.69 MAPT (0.48) ALDH1A1MEN1KMT2ATDP1MAPT
SCHEMBL187697 0.69 ALDH1A1 (0.61) ALDH1A1GPR35TSHRTYMSMEN1
SCHEMBL29626558 0.69 ALDH1A1 (0.61) ALDH1A1GPR35TSHRTYMSMEN1
SCHEMBL118464 0.69 TSHR (0.71) ALDH1A1GPR35TSHRMEN1KMT2A
SCHEMBL1926046 0.69 TSHR (0.71) ALDH1A1GPR35TSHRMEN1KMT2A

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-20210230550-A1 CELL INDUCTION METHOD INSTITUTE OF ZOOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2021-07-29 US disclosed
EP-3747991-A1 CELL INDUCTION METHOD Institute Of Zoology, Chinese Academy Of Sciences (CN) 2020-12-09 EP disclosed