SCHEMBL10370941

SCHEMBL10370941

CC(C)Oc1c(C(=O)Nc2nnn[nH]2)sc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.51
CYSLTR1 Q9Y271 1/20 0.51
ICAM1 P05362 3/20 0.45
SELE P16581 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
VCAM1 P19320 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.39
MCL1 Q07820 2/20 0.39
HK1 P19367 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
SENP5 Q96HI0 1/20 0.39
SENP2 Q9HC62 1/20 0.39
SENP1 Q9P0U3 1/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL10372239 0.85 MPO (0.55) MPOCYSLTR1ICAM1SELESMN1; SMN2
SCHEMBL9375225 0.85 ICAM1 (0.57) MPOCYSLTR1ICAM1SELESMN1; SMN2
SCHEMBL10373579 0.85 MPO (0.54) MPOCYSLTR1ICAM1SELESMN1; SMN2
SCHEMBL6440669 0.85 MPO (0.69) MPOCYSLTR1ICAM1SELESMN1; SMN2
SCHEMBL8767124 0.84 MPO (0.68) MPOCYSLTR1ICAM1SELESMN1; SMN2
SCHEMBL9249134 0.82 MPO (0.50) MPOCYSLTR1ICAM1SELESMN1; SMN2
SCHEMBL9371455 0.81 MPO (0.57) MPOCYSLTR1ICAM1SELESMN1; SMN2
SCHEMBL12581251 0.80 MPO (0.43) MPOCYSLTR1ICAM1SELESMN1; SMN2
SCHEMBL9246120 0.80 MPO (0.52) MPOCYSLTR1ICAM1SELESMN1; SMN2
SCHEMBL6568731 0.79 MPO (0.59) MPOCYSLTR1ICAM1SELESMN1; SMN2

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
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 EP claimed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US claimed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP claimed