SCHEMBL9527348

SCHEMBL9527348

Fc1ccc(CC(=S)N2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
FAAH O00519 3/20 0.49
MGLL Q99685 3/20 0.49
ALOX5 P09917 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HSD11B1 P28845 1/20 0.46
GAA P10253 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL9529297 0.82 ALDH1A1 (0.71) TDP1ALDH1A1HPGDMAPTNPC1
SCHEMBL9871967 0.81 FAAH (0.57) TDP1KMT2AALDH1A1HPGDMAPT
SCHEMBL20924654 0.80 TDP1 (0.49) TDP1KMT2AALDH1A1HPGDMAPT
SCHEMBL3170967 0.79 SMN1; SMN2 (0.70) KMT2AALDH1A1HPGDMAPTNPC1
SCHEMBL9528259 0.78 ALDH1A1 (0.49) KMT2AALDH1A1HPGDMAPTNPC1
SCHEMBL26179616 0.76 POLB (0.71) KMT2AALDH1A1HPGDMAPTNPC1
SCHEMBL9528913 0.73 HRH3 (0.50) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL13701317 0.73 SMN1; SMN2 (0.45) KMT2AALDH1A1HPGDMAPTFAAH
SCHEMBL13701290 0.71 NPC1 (0.58) TDP1KMT2AALDH1A1HPGDNPC1
SCHEMBL9531912 0.70 KMT2A (0.68) KMT2AALDH1A1HPGDMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252474-B1 HYDRAZINE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1993-04-21 EP disclosed
EP-0525832-A1 Substituted 1,2,3- thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1993-02-03 EP disclosed
US-4916237-A Substituted 1,2,3-thiadiazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4803280-A Substituted 1,2,3-thia-diazole-4-thiolates AMERICAN CYANAMID COMPANY (US) 1989-02-07 US disclosed
EP-0252474-A2 Hydrazine derivatives AMERICAN CYANAMID COMPANY (US) 1988-01-13 EP disclosed