SCHEMBL8987983

SCHEMBL8987983

O=C(O)C[n+]1csc2ccccc21.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MAPT P10636 7/20 0.49
KDM4E B2RXH2 6/20 0.49
HPGD P15428 5/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX12 P18054 1/20 0.41
LMNA P02545 2/20 0.39
HSD17B10 Q99714 2/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6936085 0.91 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EHPGDMEN1
Bromide SCHEMBL8390275 0.89 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EHPGDMEN1
Bromide SCHEMBL2951033 0.89 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EHPGDMEN1
Bromide SCHEMBL8390272 0.88 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL6935716 0.76 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHPGDMEN1
Bromide SCHEMBL2954113 0.76 KMT2A (0.55) ALDH1A1MAPTKDM4EHPGDMEN1
Bromide SCHEMBL2954205 0.75 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDMEN1
Hydrochloric Acid SCHEMBL1520138 0.75 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EHPGDMEN1
Bromide SCHEMBL8385551 0.75 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDMEN1
Bromide SCHEMBL7401677 0.74 KDM4E (0.57) ALDH1A1MAPTKDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719293-A1 LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-03 EP claimed
WO-1995005411-A2 LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-23 WO claimed
US-5541000-A Latent, thermal cure accelerators for epoxy-aromatic amine resins having lowered peak exotherms MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-30 US disclosed
EP-0719293-A1 LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-07-03 EP disclosed
WO-1995005411-A2 LATENT, THERMAL CURE ACCELERATORS FOR EPOXY-AROMATIC AMINE RESINS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-02-23 WO disclosed