SCHEMBL9327701

SCHEMBL9327701

Cc1cc(N=Nc2cc(Cl)ccc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GALR3 O60755 1/20 0.40
HTT P42858 1/20 0.40
GPR35 Q9HC97 2/20 0.40
POLB P06746 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CA2 P00918 1/20 0.40
TYR P14679 1/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.37
KCNMA1 Q12791 1/20 0.36
HSPA5 P11021 1/20 0.35
MAPT P10636 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL9867287 1.00 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL29603532 0.91 MEN1 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL7759727 0.91 MEN1 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL7759721 0.91 MEN1 (0.41) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL9866027 0.88 KMT2A (0.40) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL9327604 0.88 KMT2A (0.40) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL29488570 0.84 NPC1 (0.44) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL9178099 0.84 NPC1 (0.44) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL9178108 0.84 NPC1 (0.44) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3
SCHEMBL9867510 0.82 AKR1C3 (0.36) SMN1; SMN2L3MBTL1MEN1KMT2AGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3978074-A CATALYTIC HYDROGENATION UNIROYAL INC. (US) 1976-08-31 US claimed
EP-0363318-B1 Process for the preparation of benzotriazole derivatives CIBA GEIGY AG (CH) 1994-03-02 EP disclosed
US-4999433-A Process for the preparation of benzotriazole derivatives CIBA-GEIGY CORPORATION (US) 1991-03-12 US disclosed
EP-0363318-A1 Process for the preparation of benzotriazole derivatives CIBA-GEIGY AG (CH) 1990-04-11 EP disclosed
US-4230867-A REDUCTION, CYCLIZATION OF NITROAZOBENZENES CIBA-GEIGY CORPORATION (US) 1980-10-28 US disclosed
US-4141903-A REDUCTION AND CYCLIZATION OF THE CORRESPONDING O-NITROAZOBENZENES WITH CARBON MONOXIDE USING A COPPER-AMINE COMPLEX AS CATALYST CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4089839-A STABILIZERS/AGENTS UNIROYAL, INC. (US) 1978-05-16 US disclosed
US-4089839-A STABILIZERS/AGENTS UNIROYAL, INC. (US) 1978-05-16 US disclosed
US-4041044-A BY REDUCTION OF CORRESPONDING O-NITRO-AZOBENZENES WITH ZINC IN AQUEOUS ALKALI METAL HYDROXIDE CIBA-GEIGY CORPORATION (US) 1977-08-09 US disclosed
US-3978074-A CATALYTIC HYDROGENATION UNIROYAL INC. (US) 1976-08-31 US disclosed
US-3978074-A CATALYTIC HYDROGENATION UNIROYAL INC. (US) 1976-08-31 US disclosed