SCHEMBL11513752

SCHEMBL11513752

Cc1cc(-c2nccc(NC=C(C(=O)O)C(=O)O)n2)cc(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
IDE P14735 2/20 0.39
CYP1A2 P05177 5/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ITK Q08881 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP3A4 P08684 5/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 2/20 0.36
USP2 O75604 2/20 0.36
MAPT P10636 2/20 0.36
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAP4K4 O95819 1/20 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
SCHEMBL11515601 0.91 POLB (0.41) POLBIDECYP1A2KMT2AMEN1
SCHEMBL11648801 0.84 MEN1 (0.59) CYP1A2KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL11517592 0.82 L3MBTL1 (0.53) POLBIDECYP1A2KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11516685 0.81 L3MBTL1 (0.52) POLBIDECYP1A2KMT2AALDH1A1
SCHEMBL11515789 0.80 CDC7 (0.38) POLBIDECYP1A2KMT2AMEN1
SCHEMBL11515259 0.78 CYP1A2 (0.61) POLBIDECYP1A2KMT2AMEN1
SCHEMBL11515183 0.78 POLB (0.50) POLBIDECYP1A2KMT2AMEN1
SCHEMBL11518531 0.76 ABCG2 (0.47) POLBIDECYP1A2KMT2AMEN1
SCHEMBL11515274 0.76 ALDH1A1 (0.40) POLBIDECYP1A2KMT2AALDH1A1
SCHEMBL11651088 0.76 MEN1 (0.58) CYP1A2KMT2AMEN1ALDH1A1CYP3A4

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-RE30024-E ANTIALLERGENS STERLING DRUG INC. (US) 1979-06-05 US disclosed