SCHEMBL9305783

SCHEMBL9305783

Cc1cc2nc(C(CC(O)=S)C(O)=S)oc2cc1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.34
SMN1; SMN2 Q16637 6/20 0.34
NPC1 O15118 6/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 4/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 5/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 3/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
F9 P00740 1/20 0.32
GAA P10253 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC4 P56524 1/20 0.31
AAK1 Q2M2I8 2/20 0.31
F2RL3 Q96RI0 1/20 0.30

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
SCHEMBL9305796 0.89 RAB9A (0.38) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8972661 0.84 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL8972432 0.79 LMNA (0.45) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9305589 0.79 RAB9A (0.38) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL10892262 0.79 RAB9A (0.46) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9305087 0.79 MAPT (0.46) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9305516 0.79 TLR4 (0.44) RAB9ANPC1KMT2ATP53MAPT
SCHEMBL8972447 0.78 NPC1 (0.42) RAB9ASMN1; SMN2NPC1KDM4EALDH1A1
SCHEMBL9306804 0.78 PIK3CG (0.44) RAB9ASMN1; SMN2ALDH1A1MAPTHDAC4
SCHEMBL8972323 0.78 NPC1 (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1KMT2A

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
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed