SCHEMBL8987356

SCHEMBL8987356

CC(=O)Nc1ccccc1C(=O)c1cccs1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
LMNA P02545 1/20 0.57
ALOX15 P16050 1/20 0.57
POLB P06746 2/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
HPGDS O60760 1/20 0.49
APLNR P35414 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 2/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL11638079 0.84 ALOX15 (0.60) TSHRLMNAALOX15POLBRAB9A
SCHEMBL5478095 0.81 ALDH1A1 (0.56) TSHRLMNAALOX15RAB9ANPC1
Bromide SCHEMBL7616049 0.80 LMNA (0.51) TSHRLMNAALOX15RAB9ANPC1
SCHEMBL9148337 0.79 LMNA (0.85) TSHRLMNAALOX15POLBRAB9A
SCHEMBL9364002 0.78 ALOX15 (0.71) LMNAALOX15POLBRAB9ANPC1
SCHEMBL7291904 0.78 TSHR (0.74) TSHRRAB9ANPC1KMT2AMEN1
SCHEMBL5758571 0.76 RAB9A (0.50) LMNARAB9ANPC1KMT2AMEN1
SCHEMBL10660615 0.76 LMNA (0.58) TSHRLMNAALOX15POLBRAB9A
SCHEMBL28438322 0.76 TSHR (0.70) TSHRLMNARAB9ANPC1KMT2A
SCHEMBL2047090 0.75 CYP2C19 (0.66) LMNAPOLBCYP2C19RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed