SCHEMBL7899217

SCHEMBL7899217

CC(C#N)COc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
KDM1A O60341 1/20 0.48
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
MMP2 P08253 2/20 0.44
MMP3 P08254 1/20 0.44
LSS P48449 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTGS1 P23219 1/20 0.42
CHRNA7 P36544 1/20 0.42
PTGER4 P35408 1/20 0.42
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL8939326 0.82 LSS (0.51) MAPTLSSCHRNA7NPC1RAB9A
SCHEMBL7900745 0.80 KDM1A (0.46) MAOAMAOBKDM1AMAPTLMNA
SCHEMBL14672093 0.80 MAPT (0.57) MAOAMAOBKDM1AMAPTLMNA
SCHEMBL9513813 0.77 LMNA (0.78) MAOAMAOBKDM1AMAPTLMNA
SCHEMBL17947648 0.77 MAOA (0.50) MAOAMAOBKDM1AMAPTLMNA
SCHEMBL7046801 0.77 KDM1A (0.48) MAOAMAOBKDM1AMAPTLMNA
SCHEMBL155771 0.77 LMNA (0.78) MAOAMAOBKDM1AMAPTLMNA
SCHEMBL10927812 0.76 KDM1A (0.40) MAOAMAOBKDM1AMAPTLMNA
SCHEMBL10928111 0.75 CHRNA7 (0.40) MAOAMAOBKDM1AMAPTLMNA
SCHEMBL10322372 0.73 CTSK (0.47) MAOAMAOBALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed