SCHEMBL9851917

SCHEMBL9851917

CCc1ccc2c(=S)c3ccccc3oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.44
AHR P35869 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ECE1 P42892 2/20 0.40
MME P08473 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAOA P21397 2/20 0.40
CYP1A2 P05177 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL248557 0.90 CYP1A2 (0.46) KIF11MEN1KMT2AKDM4EALDH1A1
SCHEMBL30810814 0.90 AHR (0.53) KIF11AHRMEN1KMT2AKDM4E
SCHEMBL10306815 0.90 AHR (0.53) KIF11AHRMEN1KMT2AKDM4E
SCHEMBL6521976 0.83 MAOA (0.60) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL9980136 0.80 MAPT (0.44) KIF11AHRMEN1KMT2AKDM4E
SCHEMBL7014663 0.80 MAOB (0.50) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4138286 0.79 CYP1A2 (0.57) AHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL10238647 0.79 CYP1A2 (0.60) KIF11AHRMEN1KMT2AKDM4E
SCHEMBL13529170 0.78 CYP1A2 (0.55) AHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL195537 0.78 ALDH1A1 (0.56) AHRMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441221-A1 Method for preventing the appearance of efflorescence of mineral substrates BASF Aktiengesellschaft (DE) 1991-08-14 EP disclosed