SCHEMBL9514308

SCHEMBL9514308

C[Si](C)(C)CSc1ccc2cc(C#N)c(C#N)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.42
MAOA P21397 5/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
NSD2 O96028 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AR P10275 5/20 0.40
GLA P06280 3/20 0.39
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL8955587 0.76 AR (0.64) MAOBMAOAKDM4EMAPTTSHR
SCHEMBL9513855 0.73 MAOA (0.31) MAOBMAOA
SCHEMBL9803465 0.72 KDM4E (0.44) MAOBMAOAKDM4EMAPTNSD2
SCHEMBL10587590 0.71 AR (0.42) MAOBMAOAKDM4EMAPTNSD2
SCHEMBL13347773 0.69 CYP2A6 (0.59) MAOBMAOAKDM4EMAPTNSD2
SCHEMBL30718953 0.68 CA1 (0.42) MAOBMAOAKDM4EMAPTNSD2
SCHEMBL1271039 0.68 CA1 (0.42) MAOBMAOAKDM4EMAPTNSD2
SCHEMBL11524687 0.68 TDP1 (0.37) MAPTTSHRSMN1; SMN2MEN1KMT2A
SCHEMBL28274538 0.66 IMPDH2 (0.50) KDM4EMAPTNSD2LMNATSHR
SCHEMBL8955048 0.66 MAOB (0.56) MAOBMAOAKDM4EMAPTNSD2

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-5110968-A NAPHTHALOCYANINE DERIVATIVES, PRODUCTION THEREOF, OPTICAL RECORDING MEDIUM USING THE SAME, AND PRODUCTION THEREOF HITACHI, CHEMICAL COMPANY LTD. (JP) 1992-05-05 US claimed
EP-0378336-B1 Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof HITACHI CHEMICAL CO LTD (JP) 1993-12-01 EP disclosed
US-5110968-A NAPHTHALOCYANINE DERIVATIVES, PRODUCTION THEREOF, OPTICAL RECORDING MEDIUM USING THE SAME, AND PRODUCTION THEREOF HITACHI, CHEMICAL COMPANY LTD. (JP) 1992-05-05 US disclosed
US-5039600-A Solubility in organic solvents, absorption of semiconductor laser light HITACHI CHEMICAL COMPANY, LTD. (JP) 1991-08-13 US disclosed
EP-0378336-A1 Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof Hitachi Chemical Co., Ltd. (JP) 1990-07-18 EP disclosed