SCHEMBL8809141

SCHEMBL8809141

c1ccc(C(c2ccccc2)(c2ccccc2)c2c[nH]nc2-c2cccc(CNC3CCCCCC3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ POLB P06746 1/20 0.41
▸ MAP4K4 O95819 2/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CXCR4 P61073 1/20 0.38
▸ KDM1A O60341 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL8810439 0.82 BCHE (0.39) PARP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8809953 0.80 PARP1 (0.53) PARP1ALDH1A1KCNH2POLBMAP4K4
SCHEMBL8812099 0.77 SMN1; SMN2 (0.39) ALDH1A1POLBMEN1KMT2AKDM4E
SCHEMBL8807848 0.75 HRH3 (0.62) PARP1ALDH1A1KCNH2POLBMAP4K4
SCHEMBL8811233 0.73 KCNH2 (0.56) PARP1ALDH1A1KCNH2POLBMAP4K4
SCHEMBL8808913 0.73 HRH3 (0.50) PARP1POLBHRH3CXCR4MEN1
SCHEMBL8809463 0.72 ALDH1A1 (0.51) PARP1ALDH1A1KCNH2POLBMAP4K4
SCHEMBL8809605 0.72 ALDH1A1 (0.51) PARP1ALDH1A1KCNH2POLBMAP4K4
SCHEMBL8809501 0.70 ALDH1A1 (0.52) PARP1ALDH1A1KCNH2POLBMAP4K4
SCHEMBL8809135 0.69 MAP4K4 (0.45) PARP1ALDH1A1KCNH2POLBMAP4K4

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-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 — — EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 — — WO disclosed
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