SCHEMBL22201238

SCHEMBL22201238

Cc1ccc(Oc2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c([N+](=O)[O-])n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TGFBR1 P36897 1/20 0.34
P2RX3 P56373 3/20 0.34
S1PR4 O95977 3/20 0.33
ABCG2 Q9UNQ0 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 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
SCHEMBL22201243 0.92 ABCG2 (0.35) ALDH1A1P2RX3ABCG2MAPT
SCHEMBL22201242 0.84 HTR2C (0.38) ALDH1A1MEN1KMT2ATGFBR1P2RX3
SCHEMBL22201653 0.83 TGFBR1 (0.41) ALDH1A1SMN1; SMN2TGFBR1P2RX3ABCG2
SCHEMBL22201321 0.81 BRAF (0.36) MEN1KMT2ATGFBR1P2RX3ABCG2
SCHEMBL22201481 0.78 CSF1R (0.37) ALDH1A1MEN1KMT2AP2RX3ABCG2
SCHEMBL22201368 0.73 SYK (0.45) ALDH1A1MEN1KMT2ATGFBR1P2RX3
SCHEMBL22201415 0.72 PIP4K2A (0.37) ALDH1A1MEN1KMT2ATGFBR1P2RX3
SCHEMBL22201366 0.71 MAPT (0.39) ALDH1A1MEN1KMT2AABCG2MAPT
SCHEMBL22201223 0.71 GRM4 (0.38) ALDH1A1MEN1KMT2ATGFBR1P2RX3
SCHEMBL22201537 0.71 KDM4E (0.42) POLBALDH1A1SMN1; SMN2MEN1KMT2A

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