SCHEMBL17595404

SCHEMBL17595404

O=C(Cc1cccs1)c1c[nH]cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ POLB P06746 9/20 0.43
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HTT P42858 1/20 0.40
▸ GAPDH P04406 2/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ APEX1 P27695 1/20 0.38

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
SCHEMBL10744890 0.71 AKR1B1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL10741438 0.70 SHBG (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL17595406 0.70 ALDH1A1 (0.50) ALDH1A1HPGDPOLBSMN1; SMN2MEN1
SCHEMBL9049816 0.70 RAB9A (0.64) ALDH1A1HPGDPOLBSMN1; SMN2MEN1
SCHEMBL4821398 0.69 ADRA1D (0.47) SMN1; SMN2MEN1KMT2ARAB9AKDM4E
SCHEMBL18437365 0.69 HPGD (0.50) ALDH1A1HPGDPOLBSMN1; SMN2ESR2
SCHEMBL7353467 0.68 HPGD (0.60) ALDH1A1HPGDPOLBSMN1; SMN2ESR2
SCHEMBL1515733 0.68 HPGD (0.57) ALDH1A1HPGDPOLBSMN1; SMN2ESR1
SCHEMBL31478201 0.68 MEN1 (0.60) ALDH1A1HPGDPOLBSMN1; SMN2MEN1
SCHEMBL17595498 0.68 SMN1; SMN2 (0.39) ALDH1A1HPGDPOLBSMN1; SMN2ESR2

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-2016040180-A1 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2016-03-17 — — WO claimed
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