SCHEMBL14489850

SCHEMBL14489850

CC(C)(C)c1ccc(Nc2ccc(Nc3ccccc3)c3c2C(=O)c2c(Nc4ccc(C(C)(C)C)cc4)ccc(Nc4ccc(C(C)(C)C)cc4)c2C3=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.47
▸ AKR1C2 P52895 2/20 0.47
▸ PTPRA P18433 1/20 0.46
▸ PTPRB P23467 1/20 0.46
▸ PSD A5PKW4 1/20 0.43
▸ KCNK9 Q9NPC2 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ UQCRB P14927 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL13962363 0.93 AKR1C3 (0.48) AKR1C3AKR1C2PSDNPC1RAB9A
SCHEMBL9242850 0.89 NPC1 (0.50) NPC1RAB9ACYP1A2TSHRMEN1
SCHEMBL16403521 0.85 MAPT (0.41) AKR1C3AKR1C2PTPRAPTPRBPSD
SCHEMBL10936144 0.85 P2RY4 (0.39) AKR1C3AKR1C2PTPRAPTPRBPSD
SCHEMBL31181758 0.84 CYP1A2 (0.50) AKR1C3AKR1C2PSDNPC1RAB9A
SCHEMBL13752318 0.84 CYP1A2 (0.50) AKR1C3AKR1C2PSDNPC1RAB9A
SCHEMBL1476308 0.84 PTPRA (0.53) PTPRAPTPRBNPC1RAB9ACYP1A2
SCHEMBL28520560 0.83 RAB9A (0.50) NPC1RAB9ACYP1A2TSHRMEN1
SCHEMBL16403522 0.82 ABCG2 (0.39) AKR1C3AKR1C2PTPRAPTPRBPSD
SCHEMBL11536530 0.81 ADORA2A (0.51) NPC1RAB9AMEN1ALDH1A1MAPT

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-20070149415-A1 Power and lubricant additive concentrates containing at least one anthrachinone derivative as a marking substance BASF AKTIENGESELLSCHAFT (DE) 2007-06-28 — — US disclosed
US-20070149415-A1 Power and lubricant additive concentrates containing at least one anthrachinone derivative as a marking substance BASF AKTIENGESELLSCHAFT (DE) 2007-06-28 — — US disclosed
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