SCHEMBL9747422

SCHEMBL9747422

Fc1cccc(Cn2ccnc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 12/20 1.00
CYP11B2 P19099 10/20 1.00
ADRA2C P18825 1/20 0.67
CYP19A1 P11511 7/20 0.66
CYP1A2 P05177 1/20 0.64
POLB P06746 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
MAPT P10636 1/20 0.64
TBXAS1 P24557 1/20 0.64
QPCT Q16769 1/20 0.64
CYP4Z1 Q86W10 1/20 0.64
QPCTL Q9NXS2 1/20 0.64
FNTA P49354 1/20 0.57
FNTB P49356 1/20 0.57
PGGT1B P53609 1/20 0.57

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
SCHEMBL394308 0.88 CYP11B1 (0.83) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL6991263 0.84 CYP11B1 (0.72) CYP11B1CYP11B2CYP19A1TBXAS1QPCT
SCHEMBL10518956 0.82 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1CYP1A2POLB
SCHEMBL9661609 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL860653 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL24733003 0.80 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL10997898 0.80 CYP11B1 (0.71) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL12205 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL30448042 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2
SCHEMBL1848631 0.80 CYP11B1 (1.00) CYP11B1CYP11B2ADRA2CCYP19A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023274257-A1 IMIDAZOLE COMPOUND, AND INTERMEDIATE AND APPLICATION THEREOF 诸葛国琴 2023-01-05 WO disclosed
US-5100890-A Antidepressants, Fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-31 US disclosed
EP-0218118-B1 ARYLMETHYL AZOLES AND THEIR SALTS, METHOD FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-18 EP disclosed
US-5023357-A Arylmethylazole preparation processes HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-11 US disclosed
US-4876354-A FUNGICIDES, ANTIDEPRESSANTS HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-24 US disclosed
EP-0218118-A1 Arylmethyl azoles and their salts, method for their preparation, compositions containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-15 EP disclosed