SCHEMBL9675696

SCHEMBL9675696

O=Cc1nc2ccccc2n1Cc1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.61
▸ KDM4E B2RXH2 6/20 0.61
▸ HPGD P15428 6/20 0.61
▸ MAPT P10636 5/20 0.61
▸ HSD17B10 Q99714 4/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ VDR P11473 2/20 0.56
▸ CFTR P13569 1/20 0.48
▸ RAB9A P51151 1/20 0.45
▸ HTT P42858 3/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ RCE1 Q9Y256 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ TP53 P04637 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ USP2 O75604 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL7861772 0.78 MAPT (0.66) TSHRKDM4EHPGDMAPTHSD17B10
SCHEMBL2084701 0.78 VDR (0.72) KDM4EHPGDMAPTSMN1; SMN2VDR
SCHEMBL28261636 0.76 KDM4E (1.00) TSHRKDM4EHPGDMAPTHSD17B10
SCHEMBL376921 0.74 VDR (0.71) TSHRKDM4EHPGDMAPTVDR
SCHEMBL9674712 0.74 VDR (0.58) KDM4EHPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL3616241 0.74 KDM4E (0.65) KDM4EHPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL28425872 0.73 RAB9A (0.67) TSHRKDM4EHPGDMAPTSMN1; SMN2
SCHEMBL29870926 0.73 RAB9A (0.67) TSHRKDM4EHPGDMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL4727347 0.72 VDR (0.56) KDM4EHPGDMAPTHSD17B10SMN1; SMN2
SCHEMBL9866483 0.72 ALDH1A1 (0.67) TSHRKDM4EHPGDMAPTHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276942-B1 6-BETA(SUBSTITUTED)-(S)-HYDROXYMETHYLPENICILLANIC ACIDS AND DERIVATIVES THEREOF PFIZER INC. (US) 1992-04-01 — — EP disclosed
US-4782050-A BACTERICIDES PFIZER INC. (US) 1988-11-01 — — US disclosed
EP-0276942-A1 6-Beta(substituted)-(S)-hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1988-08-03 — — EP disclosed
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