SCHEMBL18703334

SCHEMBL18703334

CCCOc1cc(CSC)cc([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.43
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ S1PR4 O95977 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ LMNA P02545 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 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
SCHEMBL17164367 0.86 S1PR4 (0.38) MAPTMEN1KMT2AS1PR4ALOX5
SCHEMBL17164357 0.85 CHRNB4 (0.37) MAPTMEN1KMT2AS1PR4ALOX5
SCHEMBL21854579 0.84 MAPT (0.37) MAPTMEN1KMT2AS1PR4ALOX5
SCHEMBL20448215 0.84 MAPT (0.38) MAPTMEN1KMT2ARAB9AS1PR4
SCHEMBL15719607 0.83 LMNA (0.44) MAPTMEN1KMT2AMAPK1ALOX5
SCHEMBL20521493 0.83 MAPT (0.37) MAPTRAB9AS1PR4CHRNB2CHRNA4
SCHEMBL16953815 0.82 MAPT (0.44) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL6586321 0.82 MAPT (0.44) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL17164338 0.81 MAPT (0.43) MAPTMEN1KMT2ARAB9AMAPK1
SCHEMBL20522004 0.81 MAPT (0.39) MAPTMEN1KMT2ANPC1LMNA

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-2017060322-A2 PTEFB-INHIBITOR-ADC BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-04-13 — — WO disclosed
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