SCHEMBL21768546

SCHEMBL21768546

CC(C)(C)c1ccc(C2=CC(c3ccc(C(C)(C)C)cc3)=NN(Cl)N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.37
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HPGD P15428 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ HTR1D P28221 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ NISCH Q9Y2I1 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MITF O75030 1/20 0.33
▸ TP53 P04637 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
SCHEMBL21768550 0.80 KIF11 (0.42) KIF11
SCHEMBL31538680 0.79 LMNA (0.39) ALDH1A1SMN1; SMN2
SCHEMBL26915 0.61 KIF11 (0.70) KIF11ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3423876 0.61 KIF11 (0.70) KIF11ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1931781 0.59 KIF11 (0.67) KIF11ALDH1A1KDM4EHPGDHTR1D
SCHEMBL424728 0.59 TSHR (0.73) KIF11ALDH1A1HPGDHSD17B10TDP1
SCHEMBL24390273 0.57 KIF11 (0.56) KIF11ALDH1A1KDM4EHPGDXDH
SCHEMBL6680571 0.57 NPC1 (0.72) KIF11ALDH1A1KDM4EHPGDHTR1D
SCHEMBL5049965 0.57 KIF11 (0.56) KIF11POLBXDHNPC1RAB9A
SCHEMBL27409319 0.57 KIF11 (0.56) KIF11ALDH1A1KDM4EHTR1DADRA1A

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
EP-3617290-B1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2022-03-09 — — EP disclosed
EP-3617290-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-03-04 — — EP disclosed
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