SCHEMBL899268

SCHEMBL899268

Fc1ncccc1-c1cnc(N(Cc2ccccc2)c2ccccc2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.37
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LIMK1 P53667 2/20 0.33
MLYCD O95822 1/20 0.33
TSHR P16473 2/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2D6 P10635 1/20 0.32
GRM5 P41594 1/20 0.31
NR3C2 P08235 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10045107 0.83 LIMK1 (0.39) KCNA3ALDH1A1KDM4ELIMK1TSHR
SCHEMBL10045592 0.82 ALDH1A1 (0.39) KCNA3ALDH1A1KDM4ELIMK1MLYCD
SCHEMBL899302 0.80 CCNE1 (0.42) KCNA3ALDH1A1KDM4EMLYCDTAAR1
SCHEMBL899084 0.80 KCNH2 (0.38) ALDH1A1KDM4EMLYCDTSHRGAA
SCHEMBL899484 0.75 ALDH1A1 (0.38) KCNA3ALDH1A1KDM4ETSHRGAA
SCHEMBL899508 0.74 HDAC1 (0.47) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL903025 0.73 HDAC1 (0.40) ALDH1A1KDM4EMLYCDTSHRCYP19A1
SCHEMBL899366 0.72 HSD17B2 (0.46) TSHRMAPK1LMNASMN1; SMN2
SCHEMBL898826 0.70 XDH (0.48) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL22292768 0.69 GAA (0.41) ALDH1A1KDM4ETSHRGAAPOLB

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 2 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