SCHEMBL6984890

SCHEMBL6984890

Cc1ccccc1S(=O)(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
SLC40A1 Q9NP59 1/20 0.57
TP53 P04637 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PTPN2 P17706 3/20 0.53
PTPN1 P18031 3/20 0.53
PTPN5 P54829 3/20 0.53
NOTUM Q6P988 1/20 0.51
PKM P14618 1/20 0.51
NR1I2 O75469 1/20 0.50
NR3C1 P04150 1/20 0.49
HSPD1 P10809 1/20 0.49
HSPE1 P61604 1/20 0.49
SLC22A12 Q96S37 3/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL6981195 0.84 ALDH1A1 (0.60) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL3448350 0.84 ALPL (0.67) ALDH1A1LMNASMN1; SMN2KMT2ASLC22A12
SCHEMBL5342156 0.83 SLC40A1 (0.62) ALDH1A1LMNASMN1; SMN2SLC40A1MEN1
SCHEMBL6985862 0.81 ALDH1A1 (0.78) ALDH1A1LMNASMN1; SMN2SLC40A1TDP1
SCHEMBL30488423 0.80 MEN1 (0.61) ALDH1A1LMNASMN1; SMN2SLC40A1TDP1
SCHEMBL28796790 0.80 MEN1 (0.61) ALDH1A1LMNASMN1; SMN2SLC40A1TDP1
SCHEMBL6978649 0.80 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2SLC40A1TP53
SCHEMBL24876245 0.80 LMNA (0.60) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2912293 0.79 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2TP53MEN1
SCHEMBL6979083 0.78 SMN1; SMN2 (0.74) ALDH1A1LMNASMN1; SMN2TDP1MEN1

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
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
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed