SCHEMBL899084

SCHEMBL899084

Fc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
ACKR3 P25106 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HDAC1 Q13547 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK5 Q00535 1/20 0.35
CYP19A1 P11511 1/20 0.34

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
SCHEMBL899302 0.90 CCNE1 (0.42) KDM4EALDH1A1HDAC1NPC1LMNA
SCHEMBL899508 0.87 HDAC1 (0.47) ACKR3KDM4EALDH1A1HDAC1NPC1
SCHEMBL903025 0.86 HDAC1 (0.40) KDM4EALDH1A1HDAC1CCNE1CDK2
SCHEMBL899366 0.84 HSD17B2 (0.46) ACKR3HDAC1NPC1LMNARAB9A
SCHEMBL902944 0.80 HDAC1 (0.38) KDM4EALDH1A1HDAC1
SCHEMBL899268 0.80 KCNA3 (0.37) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL10045107 0.78 LIMK1 (0.39) KDM4EALDH1A1MAPTGAATSHR
SCHEMBL899484 0.77 ALDH1A1 (0.38) KDM4EALDH1A1NPC1LMNAMAPT
SCHEMBL899467 0.77 ALDH1A1 (0.44) ACKR3KDM4EALDH1A1NPC1LMNA
SCHEMBL10045592 0.76 ALDH1A1 (0.39) KDM4EALDH1A1NPC1HPGDRAB9A

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
WO-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO claimed
WO-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO disclosed
WO-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO disclosed