SCHEMBL3070033

SCHEMBL3070033

C=Cn1ccnc1.C=Cn1ccnc1.[Fe]

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.36
QPCT Q16769 1/20 0.36
HSD17B10 Q99714 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
TBXAS1 P24557 2/20 0.31
CYP17A1 P05093 1/20 0.30

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
SCHEMBL16924647 0.97 NFKB1 (0.38) NFKB1QPCTHSD17B10QPCTLTBXAS1
SCHEMBL25841 0.97
SCHEMBL2734663 0.95
SCHEMBL20975544 0.95
Hydrochloric Acid SCHEMBL1682099 0.95
Fluoride SCHEMBL1477387 0.95 NFKB1 (0.42) NFKB1QPCTHSD17B10QPCTLTBXAS1
Hydrochloric Acid SCHEMBL3504161 0.95 NFKB1 (0.36) NFKB1QPCTHSD17B10QPCTLTBXAS1
Hydrochloric Acid SCHEMBL22471677 0.95 NFKB1 (0.36) NFKB1QPCTHSD17B10QPCTLTBXAS1
Bromide SCHEMBL1681549 0.95
Hydrochloric Acid SCHEMBL31282633 0.95 NFKB1 (0.36) NFKB1QPCTHSD17B10QPCTLTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790880-B2 DI-(1-Imidazole) metal phthalocyanine compound, composition comprising the same and preparation method thereof HOSEO UNIVERSITY ACADEMIC COOPERATION FOUNDATION (KR) 2010-09-07 US disclosed
US-20100048889-A1 DI-(1-Imidazole) metal phthalocyanine compound, composition comprising the same and preparation method thereof HOSEO UNIVERSITY ACADEMIC COOPERATION FOUNDATION (KR) 2010-02-25 US disclosed