SCHEMBL22201666

SCHEMBL22201666

Cc1cc(F)cc(Nc2nc(-c3ccncc3C)nc3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
LMNA P02545 7/20 0.60
CYP1A2 P05177 6/20 0.60
CYP3A4 P08684 6/20 0.60
HSD17B10 Q99714 4/20 0.60
CLK4 Q9HAZ1 4/20 0.60
ALOX15 P16050 2/20 0.60
HPGD P15428 4/20 0.52
POLB P06746 2/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
ABCG2 Q9UNQ0 3/20 0.52
MAPT P10636 5/20 0.51
CYP2C19 P33261 4/20 0.51
MAPK1 P28482 3/20 0.51
KDM4E B2RXH2 3/20 0.51
CYP2D6 P10635 3/20 0.51
USP2 O75604 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL22201667 0.87 ABCG2 (0.67) ALDH1A1LMNACYP1A2CYP3A4HSD17B10
SCHEMBL22201344 0.84 ALDH1A1 (0.72) ALDH1A1LMNAHPGDPOLBGSK3A
SCHEMBL22201428 0.78 ALDH1A1 (0.81) ALDH1A1LMNAHPGDPOLBGSK3A
SCHEMBL22201606 0.77 TGFBR1 (0.66) ALDH1A1LMNACYP1A2CYP3A4HSD17B10
SCHEMBL414358 0.75 CYP1A2 (1.00) ALDH1A1LMNACYP1A2CYP3A4HSD17B10
SCHEMBL22201581 0.75 HPGD (0.81) ALDH1A1LMNAHPGDPOLBGSK3A
SCHEMBL22201663 0.72 ALDH1A1 (0.70) ALDH1A1LMNAHPGDPOLBGSK3A
SCHEMBL22201440 0.72 ABCG2 (0.74) ALDH1A1LMNAHPGDPOLBGSK3A
SCHEMBL1817920 0.70 ALDH1A1 (0.68) ALDH1A1LMNACYP1A2CYP3A4HSD17B10
SCHEMBL22201670 0.70 HPGD (0.68) ALDH1A1LMNAHPGDPOLBGSK3A

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
WO-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed