SCHEMBL11006560

SCHEMBL11006560

Cc1ccnc(CCn2ccnc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ CTDSP1 Q9GZU7 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ TSHR P16473 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ QPCT Q16769 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CYP11B1 P15538 1/20 0.48
▸ CYP11B2 P19099 1/20 0.48
▸ CYP19A1 P11511 1/20 0.47
▸ TBXAS1 P24557 1/20 0.47

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) POLBCTDSP1TDP1KMT2AQPCT
SCHEMBL8337928 0.76 TBXAS1 (0.54) CYP3A4CYP2D6CYP2C9MAPK1CYP11B1
SCHEMBL6987181 0.75 CYP11B1 (0.72) POLBCTDSP1TDP1KMT2ATSHR
SCHEMBL6987156 0.73 CYP19A1 (0.69) KMT2AQPCTCYP11B1CYP11B2CYP19A1
SCHEMBL11006343 0.72 KMT2A (0.48) KMT2ATSHRCYP1A2CYP3A4CYP2D6
SCHEMBL9585202 0.71 POLB (0.49) POLBKMT2A
Hydrochloric Acid SCHEMBL10858865 0.70 UHRF1 (0.48) KMT2ATSHRCYP3A4MEN1
SCHEMBL7893402 0.70 KDM4E (0.55) KMT2ATSHRCYP3A4SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL11412762 0.70 UHRF1 (0.48) KMT2ATSHRCYP3A4MEN1
SCHEMBL17679983 0.70 TSHR (0.60) POLBCTDSP1TDP1KMT2ATSHR

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 4 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
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 — — EP disclosed
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