SCHEMBL20062869

SCHEMBL20062869

Cc1ccc(N2/C(=C3/N(c4ccc(C)cc4)c4cc(C)c(C)cc4N3c3ccc(C(C)(C)C)cc3)N(c3ccc(C(C)(C)C)cc3)c3cc(C)c(C)cc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
HSD11B1 P28845 1/20 0.39
F2 P00734 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
MGLL Q99685 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
CA2 P00918 1/20 0.35
NR1I2 O75469 1/20 0.33
CDK8 P49336 1/20 0.33

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
SCHEMBL18905701 0.95 TSHR (0.41) TSHRHSD11B1NPC1MAPTCA9
SCHEMBL18905705 0.88 TSHR (0.50) TSHRHSD11B1F2ELANECTSG
SCHEMBL18905736 0.87 ELANE (0.48) TSHRF2ELANECTSGCMA1
SCHEMBL18905708 0.84 MGLL (0.40) TSHRNPC1RAB9AMAPTMGLL
SCHEMBL18905731 0.81 NR1I2 (0.41) TSHRCA9CA12CA1NR1H4
SCHEMBL20071968 0.81 NR1H4 (0.33) TSHRCA9CA12CA1NR1H4
SCHEMBL18905684 0.80 CA9 (0.39) TSHRNPC1RAB9AMAPTCA9
SCHEMBL18905679 0.80 CA9 (0.39) TSHRNPC1RAB9AMAPTCA9
SCHEMBL19343004 0.80 KCNH2 (0.37) TSHRCA9CA12CA1NR1H4
SCHEMBL18905691 0.79 KCNH2 (0.37) TSHRHSD11B1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed