SCHEMBL4540248

SCHEMBL4540248

Cc1cc(-c2cc(C)c(N)c(C)c2)cc(C)c1N.[H]

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.93
TDP1 Q9NUW8 4/20 0.93
TSHR P16473 4/20 0.93
CYP3A4 P08684 4/20 0.93
TP53 P04637 2/20 0.93
POLB P06746 2/20 0.50
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CD44 P16070 2/20 0.33
CASP1 P29466 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL9669 0.97 ALDH1A1 (1.00) ALDH1A1TDP1TSHRCYP3A4TP53
SCHEMBL1866504 0.97 ALDH1A1 (1.00) ALDH1A1TDP1TSHRCYP3A4TP53
Methane SCHEMBL28153016 0.93 ALDH1A1 (0.93) ALDH1A1TDP1TSHRCYP3A4TP53
Hydrochloric Acid SCHEMBL28496175 0.93 ALDH1A1 (0.93) ALDH1A1TDP1TSHRCYP3A4TP53
Water SCHEMBL28190185 0.93 ALDH1A1 (0.93) ALDH1A1TDP1TSHRCYP3A4TP53
Hydrochloric Acid SCHEMBL472235 0.93 ALDH1A1 (0.93) ALDH1A1TDP1TSHRCYP3A4TP53
Hydrochloric Acid SCHEMBL4598240 0.93 ALDH1A1 (0.93) ALDH1A1TDP1TSHRCYP3A4TP53
Water SCHEMBL10536100 0.93 ALDH1A1 (0.93) ALDH1A1TDP1TSHRCYP3A4TP53
Ammonia Solution, Strong SCHEMBL16970867 0.93 ALDH1A1 (0.93) ALDH1A1TDP1TSHRCYP3A4TP53
Ammonia Solution, Strong SCHEMBL7696025 0.93 ALDH1A1 (0.93) ALDH1A1TDP1TSHRCYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090104633-A1 Kit for Highly Sensitive Detection Assays VYZKUMNY USTAV VETERINARNIHO LEKARSTVI (CZ) 2009-04-23 US disclosed