SCHEMBL6985340

SCHEMBL6985340

N#Cc1ccc(CCC(=O)N2CCCc3cc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.52
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PKM P14618 2/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6985317 0.89 NR3C1 (0.58) NR3C1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL6986216 0.88 KMT2A (0.56) NR3C1LMNASMN1; SMN2PKMKMT2A
SCHEMBL6977495 0.88 SMN1; SMN2 (0.49) NR3C1LMNASMN1; SMN2PKMKMT2A
SCHEMBL6984033 0.88 TP53 (0.56) NR3C1LMNASMN1; SMN2PKMKMT2A
Hydrochloric Acid SCHEMBL6982768 0.87 NR3C1 (0.52) NR3C1LMNASMN1; SMN2PKMUSP2
SCHEMBL6977969 0.87 NR3C1 (0.56) NR3C1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL6985343 0.86 LMNA (0.51) NR3C1LMNASMN1; SMN2PKMUSP2
SCHEMBL6982759 0.85 BRD4 (0.53) NR3C1LMNASMN1; SMN2PKMKMT2A
SCHEMBL6982160 0.85 NR3C1 (0.61) NR3C1LMNASMN1; SMN2PKMKMT2A
SCHEMBL6984755 0.84 TP53 (0.56) NR3C1LMNASMN1; SMN2PKMKMT2A

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