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SCHEMBL20071968

SCHEMBL20071968

Cc1cc2c(cc1C)N(c1ccc(C(C)(C)C)cc1)C(=C1N(c3ccc(C(C)(C)C)cc3)c3cc(C)c(C)cc3N1c1ccc(C(C)(C)CCC(C)(C)c3ccc(N4/C(=C5\N(c6ccc(C(C)(C)C)cc6)c6ccc(C(C)(C)C)cc6N5c5ccc(C(C)(C)C)cc5)N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc54)cc3)cc1)N2c1ccc(C(C)(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.33
▸ CA9 Q16790 3/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL18905684 0.85 CA9 (0.39) NR1H4CA9CA12CA1CA2
SCHEMBL18905701 0.85 TSHR (0.41) NR1H4CA9CA12CA1CA2
SCHEMBL18905679 0.85 CA9 (0.39) NR1H4CA9CA12CA1CA2
SCHEMBL20062869 0.81 TSHR (0.52) NR1H4CA9CA12CA1CA2
SCHEMBL18905705 0.76 TSHR (0.50) NR1H4CA9CA12CA1CA2
SCHEMBL18905695 0.76 ALDH1A1 (0.32) CA9CA12CA1TSHR
SCHEMBL18905743 0.76 HSP90AA1 (0.41) TSHR
SCHEMBL18905689 0.76 TSHR (0.38) CA9CA12CA1CA2TSHR
SCHEMBL18905680 0.76 TSHR (0.38) CA9CA12CA1CA2TSHR
SCHEMBL18905708 0.75 MGLL (0.40) NR1H4TSHR

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-10541260-B2 Organic photoelectric conversion element, optical area sensor, imaging device, and imaging apparatus CANON KABUSHIKI KAISHA (JP) 2020-01-21 — — US disclosed
US-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 — — US disclosed