SCHEMBL9180508

SCHEMBL9180508

CCCCc1ccc(/N=N/c2cc(C(C)(C)C)cc(C(C)CC)c2O)c([N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR35 Q9HC97 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9180516 1.00 RORC (0.33) RORCTDP1ALDH1A1KDM4EGAA
SCHEMBL9182173 0.87 RORC (0.40) RORCTDP1ALDH1A1KDM4EGAA
SCHEMBL9182170 0.87 RORC (0.40) RORCTDP1ALDH1A1KDM4EGAA
SCHEMBL9184596 0.85 NR5A2 (0.38) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL9184599 0.85 NR5A2 (0.38) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL9269874 0.84 PSEN1 (0.36) RORCTDP1ALDH1A1KDM4EGAA
SCHEMBL9269877 0.84 PSEN1 (0.36) RORCTDP1ALDH1A1KDM4EGAA
SCHEMBL9260980 0.83 PTPN11 (0.40) RORCTDP1MAPTMAPK1CYP1A2
SCHEMBL5186248 0.83 PTPN11 (0.40) RORCTDP1MAPTMAPK1CYP1A2
SCHEMBL11876698 0.83 MEN1 (0.40) RORCTDP1ALDH1A1KDM4EGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0380840-B1 Method of preparing 2-phenylbenzotriazoles CHEMIPRO KASEI KAISHA LTD (JP) 1995-05-17 EP disclosed
US-5187289-A Method of preparing 2-phenyl benzotriazoles CHEMIPRO KASEI KAISHA, LTD. (JP) 1993-02-16 US disclosed
US-5104992-A METHOD OF PREPARING 2-PHENYL BENEZOTHRIAZOLES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-04-14 US disclosed
EP-0257151-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA, LTD. (JP) 1992-01-29 EP disclosed
EP-0380840-A1 Method of preparing 2-phenylbenzotriazoles CHEMIPRO KASEI KAISHA, LTD. (JP) 1990-08-08 EP disclosed
EP-0380839-A1 Method of preparing 2-phenylbenzotriazoles CHEMIPRO KASEI KAISHA, LTD. (JP) 1990-08-08 EP disclosed
US-4943637-A Method for preparing 2-phenylbenzotriazoles CHEMIPRO KASEI KAISHA, LTD. (JP) 1990-07-24 US disclosed
US-4835284-A Method for preparing 2-phenylbenzotriazoles and 2-phenylbenzotriazole-N-oxides CHEMIPRO KASEI KAISHA, LTD. (JP) 1989-05-30 US disclosed