SCHEMBL11006343

SCHEMBL11006343

Cc1cccc(CCn2ccnc2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP19A1 P11511 3/20 0.47
▸ TBXAS1 P24557 2/20 0.47
▸ PRKCI P41743 1/20 0.46
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ TSHR P16473 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL11015631 0.78 KMT2A (0.49) KMT2AMEN1CYP19A1TBXAS1PRKCI
SCHEMBL8337928 0.76 TBXAS1 (0.54) CYP19A1TBXAS1CYP11B1CYP11B2ALOX15
SCHEMBL31061448 0.74 CYP19A1 (0.49) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL24916774 0.73 CCR1 (0.52) KMT2AMEN1SMN1; SMN2
SCHEMBL30201993 0.73 CCR1 (0.52) KMT2AMEN1SMN1; SMN2
SCHEMBL28803051 0.73 CYP19A1 (0.49) KMT2AMEN1CYP19A1TBXAS1PRKCI
SCHEMBL9323999 0.72 CYP11B1 (0.58) KMT2AMEN1CYP19A1TBXAS1PRKCI
SCHEMBL11006560 0.72 POLB (0.52) KMT2AMEN1CYP19A1TBXAS1PRKCI
SCHEMBL30674929 0.72 CYP11B1 (0.58) KMT2AMEN1CYP19A1TBXAS1PRKCI
SCHEMBL6987181 0.72 CYP11B1 (0.72) KMT2AMEN1CYP19A1TBXAS1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4528195-A Imidazole derivatives and salts thereof, their synthesis and intermediates and pharmaceutical formulations THOROGOOD PETER B (GB) 1985-07-09 — — US disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 — — EP disclosed
US-4416895-A ANTICOAGULANTS, ANTISHOCK AGENTS BURROUGHS WELLCOME CO. (US) 1983-11-22 — — US disclosed
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