SCHEMBL11515601

SCHEMBL11515601

Cc1cc(-c2nccc(NC=C(C(=O)O)C(=O)O)n2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
IDE P14735 2/20 0.41
ALDH1A1 P00352 1/20 0.39
WNT3A P56704 2/20 0.38
ABL1 P00519 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
ATM Q13315 1/20 0.37
EGFR P00533 1/20 0.36
ITK Q08881 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL11513752 0.91 POLB (0.40) POLBIDEALDH1A1ABL1L3MBTL1
SCHEMBL11651088 0.84 MEN1 (0.58) ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL11515789 0.84 CDC7 (0.38) POLBIDEALDH1A1L3MBTL1RXFP1
SCHEMBL11517592 0.84 L3MBTL1 (0.53) POLBIDEALDH1A1L3MBTL1RXFP1
Hydrochloric Acid SCHEMBL11516685 0.83 L3MBTL1 (0.52) POLBIDEALDH1A1L3MBTL1RXFP1
SCHEMBL11515183 0.80 POLB (0.50) POLBIDEALDH1A1L3MBTL1RXFP1
SCHEMBL11515259 0.77 CYP1A2 (0.61) POLBIDEALDH1A1KMT2AMEN1
SCHEMBL11648801 0.76 MEN1 (0.59) ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL11518531 0.75 ABCG2 (0.47) POLBIDEALDH1A1ABL1KMT2A
SCHEMBL11515274 0.75 ALDH1A1 (0.40) POLBIDEALDH1A1ABL1L3MBTL1

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