SCHEMBL11327801

SCHEMBL11327801

CN(C)c1ccc(N=Nc2ccc(Oc3ccc(N=Nc4ccc(N(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.63
▸ TSHR P16473 4/20 0.63
▸ MAPK1 P28482 3/20 0.63
▸ HSD17B10 Q99714 3/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ NPC1 O15118 7/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ POLB P06746 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ CA12 O43570 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ NSD2 O96028 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52

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
SCHEMBL3946527 0.86 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1HSD17B10TDP1
SCHEMBL13018335 0.86 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1HSD17B10TDP1
SCHEMBL13018337 0.86 ALDH1A1 (0.65) ALDH1A1TSHRMAPK1HSD17B10TDP1
SCHEMBL3217829 0.86 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1HSD17B10TDP1
SCHEMBL1405466 0.86 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1HSD17B10TDP1
SCHEMBL3217836 0.86 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1HSD17B10TDP1
SCHEMBL3217840 0.86 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1HSD17B10TDP1
SCHEMBL1405467 0.86 ALDH1A1 (0.81) ALDH1A1TSHRMAPK1HSD17B10TDP1
SCHEMBL5981963 0.85 MAPK1 (0.61) ALDH1A1TSHRMAPK1HSD17B10TDP1
SCHEMBL5981957 0.85 MAPK1 (0.61) ALDH1A1TSHRMAPK1HSD17B10TDP1

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-4268603-A Photoresist compositions TOKYO OHKA KOGYO KABUSHIKI KAISHA (JP) 1981-05-19 — — US claimed
US-4268603-A Photoresist compositions TOKYO OHKA KOGYO KABUSHIKI KAISHA (JP) 1981-05-19 — — US disclosed
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