SCHEMBL7900745

SCHEMBL7900745

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CHRNA7 P36544 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
LSS P48449 1/20 0.41
MMP2 P08253 2/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL8939352 0.84 LSS (0.50) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7899217 0.80 MAOA (0.48) KDM1AMAOAMAOBRAB9ANPC1
SCHEMBL8939346 0.77 LSS (0.49) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL6024662 0.77 ALOX5 (0.53) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10927812 0.77 KDM1A (0.40) KDM1AMAOAMAOBALDH1A1HPGD
SCHEMBL9057710 0.77 AAK1 (0.49) KDM1AMAOAMAOBRAB9ANPC1
SCHEMBL8939312 0.76 LTA4H (0.50) RAB9ANPC1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10928111 0.76 CHRNA7 (0.40) KDM1AMAOAMAOBALDH1A1HPGD
SCHEMBL8939325 0.75 KDM4E (0.50) MAOARAB9ANPC1ALDH1A1HPGD
SCHEMBL8939349 0.75 KDM4E (0.50) MAOARAB9ANPC1ALDH1A1HPGD

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