SCHEMBL9366325

SCHEMBL9366325

Clc1ccc(C(Cl)Cn2ccnc2)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.76
CYP2C9 P11712 10/20 0.67
CYP3A4 P08684 8/20 0.67
IDO1 P14902 9/20 0.64
CYP1A2 P05177 7/20 0.64
CYP2D6 P10635 7/20 0.64
CYP2C19 P33261 7/20 0.64
LMNA P02545 4/20 0.64
ALOX15 P16050 4/20 0.64
NR1I2 O75469 4/20 0.64
NR3C1 P04150 4/20 0.64
ADORA3 P0DMS8 4/20 0.64
DRD2 P14416 4/20 0.64
SLC6A2 P23975 4/20 0.64
SLC6A4 P31645 4/20 0.64
OPRK1 P41145 4/20 0.64
SLC6A3 Q01959 4/20 0.64
KCNH2 Q12809 4/20 0.64
FYN P06241 3/20 0.64
CHRM4 P08173 3/20 0.64

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
Hydrochloric Acid SCHEMBL11617815 0.98 ADRA2C (0.74) ADRA2CCYP2C9CYP3A4IDO1CYP1A2
SCHEMBL11304305 0.89 ADRA2C (0.74) ADRA2CCYP2C9CYP3A4IDO1CYP1A2
SCHEMBL31180917 0.87 ADRA2C (0.71) ADRA2CCYP2C9CYP3A4IDO1CYP1A2
SCHEMBL11611712 0.87 ADRA2C (0.71) ADRA2CCYP2C9CYP3A4IDO1CYP1A2
SCHEMBL29846165 0.87 ADRA2C (1.00) ADRA2CCYP2C9CYP3A4IDO1CYP1A2
SCHEMBL6305674 0.87 ADRA2C (0.71) ADRA2CCYP2C9CYP3A4IDO1CYP1A2
SCHEMBL4664253 0.87 ADRA2C (1.00) ADRA2CCYP2C9CYP3A4IDO1CYP1A2
SCHEMBL4817509 0.87 ADRA2C (1.00) ADRA2CCYP2C9CYP3A4IDO1CYP1A2
SCHEMBL6393853 0.87 ADRA2C (0.71) ADRA2CCYP2C9CYP3A4IDO1CYP1A2
SCHEMBL30256070 0.87 ADRA2C (1.00) ADRA2CCYP2C9CYP3A4IDO1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0427242-B1 Azole derivatives and antifungal drugs containing the same as an active component KAO CORP (JP) 1994-09-21 EP disclosed
EP-0188383-B1 Imidazole derivatives, their preparation and therapeutic use SANKYO CO (JP) 1994-04-27 EP disclosed
US-5183824-A Azole derivatives and antifungal drugs containing the same as an active component KAO CORPORATION (JP) 1993-02-02 US disclosed
US-5110826-A AZOLE DERIVATIVES AND ANTIFUNGAL DRUGS CONTAINING THE SAME AS AN ACTIVE COMPONENT KAO CORPORATION (JP) 1992-05-05 US disclosed
EP-0427242-A1 Azole derivatives and antifungal drugs containing the same as an active component KAO CORPORATION (JP) 1991-05-15 EP disclosed
US-4894385-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1990-01-16 US disclosed
EP-0188383-A2 Imidazole derivatives, their preparation and therapeutic use SANKYO COMPANY LIMITED (JP) 1986-07-23 EP disclosed
US-4177350-A FUNGICIDES SIEGFRIED AKTIENGESELLSCHAFT (CH) 1979-12-04 US disclosed
US-4131608-A Thioethers SIEGFRIED AKTIENGESELLSCHAFT (CH) 1978-12-26 US disclosed
US-4107314-A Antifungal thio-alkyl-imidazole derivatives PFEIZER INC. (US) 1978-08-15 US disclosed
US-4055652-A 1-[β(R-thio)phenethyl]imidazoles and derivatives thereof SYNTEX (U.S.A.) INC. (US) 1977-10-25 US disclosed
US-4012566-A CONTACTING WITH A HOMOGENEOUS OLEFIN DISPROPORTIONATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1977-03-15 US disclosed
US-3995095-A Modification of polymers by treatment with olefins PHILLIPS PETROLEUM COMPANY (US) 1976-11-30 US disclosed