SCHEMBL9869451

SCHEMBL9869451

Cc1csc2cccc(N(C)C)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
GAA P10253 4/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.35
CYP2A6 P11509 1/20 0.32
LMNA P02545 2/20 0.31
PLEC Q15149 1/20 0.31
NSD2 O96028 1/20 0.31
EGFR P00533 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM1 Q13255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL8404359 0.77 CTSG (0.37) MAPTALDH1A1TSHRCYP2A6SMN1; SMN2
SCHEMBL1509344 0.73 MAPT (0.56) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL28481670 0.72 TRPA1 (0.41) MAPTKDM4EALDH1A1TSHRCYP2A6
SCHEMBL2088114 0.72 CA2 (0.44) MAPTALDH1A1CYP2A6CYP1A2CYP2D6
SCHEMBL2092710 0.72 CYP2A6 (0.33) MAPTCYP2A6
SCHEMBL2091686 0.72 MRGPRX1 (0.40) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL13950989 0.72 CD44 (0.41) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL2092548 0.72 CYP2A6 (0.41) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL17139919 0.72 MEN1 (0.36) MAPTGAAALDH1A1CYP2A6L3MBTL1
SCHEMBL4426300 0.71 CYP2A6 (0.46) CYP2A6

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
US-5071986-A For pressure or heat sensitive recording materials CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
US-5037980-A Anxiolytic agents, hypotensive agents AMERICAN CYANAMID COMPANY (US) 1991-08-06 US disclosed
US-5004813-A Produce intense, lightfast colors for pressure or heat sensitive recording materials CIBA-GEIGY CORPORATION (US) 1991-04-02 US disclosed
US-4876357-A FOR PRESSURE AND HEAT SENSITIVE ELEMENTS CIBA-GEIGY CORPORATION (US) 1989-10-24 US disclosed
EP-0266310-A1 Chromogenic phthalides and azaphthalides CIBA-GEIGY AG (CH) 1988-05-04 EP disclosed