SCHEMBL13670139

SCHEMBL13670139

c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)CCCC5)cc3)cc2)c2ccc3c(c2)CCCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35

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
SCHEMBL26307074 0.96 ALDH1A1 (0.39) TSHRCYP11B1CYP11B2MAPTALDH1A1
SCHEMBL13152150 0.96 ALDH1A1 (0.39) TSHRCYP11B1CYP11B2MAPTALDH1A1
SCHEMBL14786665 0.94 TSHR (0.46) TSHRCYP11B1CYP11B2MAPTALDH1A1
SCHEMBL29338832 0.91 CYP11B1 (0.50) TSHRCYP11B1CYP11B2MAPTALDH1A1
SCHEMBL29338833 0.91 CYP11B1 (0.50) TSHRCYP11B1CYP11B2MAPTALDH1A1
SCHEMBL24715363 0.91 MAPT (0.39) TSHRCYP11B1CYP11B2MAPTALDH1A1
SCHEMBL8852754 0.91 ALDH1A1 (0.43) TSHRMAPTALDH1A1KDM4ETDP1
SCHEMBL14506990 0.87 ALDH1A1 (0.46) TSHRMAPTALDH1A1KDM4ETDP1
SCHEMBL17841771 0.87 ALDH1A1 (0.46) TSHRMAPTALDH1A1KDM4ETDP1
SCHEMBL11898477 0.87 ALDH1A1 (0.46) TSHRMAPTALDH1A1KDM4ETDP1

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-7598010-B2 Triarylamine dimer derivative having amorphous phase ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-06 — — US disclosed
US-7598010-B2 Triarylamine dimer derivative having amorphous phase ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2009-10-06 — — US disclosed
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