SCHEMBL6981579

SCHEMBL6981579

COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)CCc2ccc(C#N)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.60
TRIM24 O15164 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 4/20 0.52
OGG1 O15527 2/20 0.50
NLRP3 Q96P20 1/20 0.49
TP53 P04637 2/20 0.49
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL6985746 0.91 KMT2A (0.56) NR3C1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL6982759 0.89 BRD4 (0.53) NR3C1SMN1; SMN2LMNAMAPTTP53
SCHEMBL6985865 0.89 MAPT (0.56) NR3C1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL6984755 0.89 TP53 (0.56) NR3C1SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL6985317 0.89 NR3C1 (0.58) NR3C1SMN1; SMN2LMNAMAPTTP53
SCHEMBL6977969 0.87 NR3C1 (0.56) NR3C1SMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL6982160 0.87 NR3C1 (0.61) NR3C1SMN1; SMN2ALDH1A1LMNAPOLB
Hydrochloric Acid SCHEMBL6986049 0.86 NR3C1 (0.60) NR3C1TRIM24SMN1; SMN2ALDH1A1LMNA
SCHEMBL6986216 0.85 KMT2A (0.56) NR3C1TRIM24SMN1; SMN2ALDH1A1LMNA
SCHEMBL6986976 0.84 ADRB2 (0.58) NR3C1SMN1; SMN2ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed