SCHEMBL13962365

SCHEMBL13962365

CCC(C)c1ccc(Nc2ccc(Nc3ccc(C(C)CC)cc3)c3c2C(=O)c2c(Nc4ccc(C(C)CC)cc4)ccc(Nc4ccc(C(C)CC)cc4)c2C3=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.44
▸ RAB9A P51151 8/20 0.42
▸ NPC1 O15118 7/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ GAA P10253 2/20 0.40

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
SCHEMBL13760001 0.91 LMNA (0.51) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL11964751 0.84 ADORA2A (0.47) NPSR1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL13962360 0.82 MEN1 (0.48) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL13962358 0.75 P2RY4 (0.48) NPSR1RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL29699674 0.75 KMT2A (0.46) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL12367738 0.73 TSHR (0.49) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL1900066 0.73 ALDH1A1 (0.53) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL9438085 0.72 NPC1 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1TDP1
SCHEMBL11964761 0.72 MAPK1 (0.48) TSHRNPSR1RAB9ANPC1SMN1; SMN2
SCHEMBL16694156 0.72 TSHR (0.47) TSHRNPSR1RAB9ANPC1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090006004-A1 Method for Determining the Identity, Absence and Concentration of a Chemical Compound in a Medium BASF SE (DE) 2009-01-01 — — US disclosed
US-20090006004-A1 Method for Determining the Identity, Absence and Concentration of a Chemical Compound in a Medium BASF SE (DE) 2009-01-01 — — US disclosed
US-20080057589-A1 Method For Determining The Presence Of A Chemical Compound Which Is Homogeneously Distributed In A Medium By Means Of Cross-Correlating A Measuring Spectrum With Reference Spectra BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 — — US disclosed
US-20080057589-A1 Method For Determining The Presence Of A Chemical Compound Which Is Homogeneously Distributed In A Medium By Means Of Cross-Correlating A Measuring Spectrum With Reference Spectra BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 — — US disclosed
WO-2007074156-A1 METHOD FOR DETERMINING THE IDENTITY, ABSENCE AND CONCENTRATION OF A CHEMICAL COMPOUND IN A MEDIUM BASF SE (DE) 2007-07-05 — — WO 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
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
Send feedback