SCHEMBL7870102

SCHEMBL7870102

Cc1ccc(Sc2c(F)c(C#N)c(C#N)c(F)c2Sc2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
AR P10275 3/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNK3 O14649 1/20 0.36
MLYCD O95822 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL7870136 0.85 CYP1A2 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9392835 0.82 L3MBTL1 (0.49) L3MBTL1LMNATDP1MCL1ALDH1A1
SCHEMBL7873517 0.81 MAOA (0.53) L3MBTL1TDP1ALDH1A1MAPTKDM4E
SCHEMBL7106251 0.81 MAOA (0.48) L3MBTL1LMNATDP1MCL1ALDH1A1
SCHEMBL7870119 0.80 L3MBTL1 (0.43) L3MBTL1TDP1ALDH1A1ARMAPT
SCHEMBL7868411 0.76 HAO1 (0.39) LMNAALDH1A1ARCYP1A2CYP3A4
SCHEMBL5074845 0.75 L3MBTL1 (0.45) L3MBTL1LMNATDP1MCL1ALDH1A1
SCHEMBL7869250 0.74 CA12 (0.49) L3MBTL1LMNATDP1MCL1ALDH1A1
SCHEMBL7873574 0.74 AR (0.44) L3MBTL1LMNATDP1ALDH1A1AR
SCHEMBL2075358 0.73 L3MBTL1 (0.42) L3MBTL1LMNATDP1MCL1ALDH1A1

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
EP-0882768-B1 Method for producing of phthalocyanine compound NIPPON CATALYTIC CHEM IND (JP) 2001-12-19 EP disclosed
US-6034236-A REACTING A PHTHALONITRILE WITH A METAL OXIDE IN PRESENCE OF A SULFONIC ACID CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2000-03-07 US disclosed
EP-0882768-A2 Method for producing of phthalocyanine compound NIPPON SHOKUBAI CO., LTD. (JP) 1998-12-09 EP disclosed