SCHEMBL9536038

SCHEMBL9536038

Cc1ccc2nc(SCCBr)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
MAPT P10636 5/20 0.51
DDAH1 O94760 1/20 0.48
ADRA2C P18825 1/20 0.48
ELANE P08246 1/20 0.46
HSD17B10 Q99714 3/20 0.45
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
USP2 O75604 1/20 0.43
MAPK10 P53779 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 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
SCHEMBL9184518 0.78 MAPT (0.44) KDM4EMAPTDDAH1ADRA2CELANE
SCHEMBL9531515 0.78 DDAH1 (0.71) MAPTDDAH1ADRA2CHSD17B10RAB9A
SCHEMBL1748063 0.77 KDM4E (0.56) KDM4EMAPTELANEHSD17B10RAB9A
SCHEMBL4714803 0.77 RAB9A (0.54) KDM4EMAPTELANERAB9ANPC1
SCHEMBL9534071 0.73 TMEM97 (0.62) KDM4EMAPTDDAH1ADRA2CHSD17B10
SCHEMBL15447660 0.72 KDM4E (0.74) KDM4EMAPTELANEHSD17B10RAB9A
SCHEMBL31294143 0.72 KDM4E (0.50) KDM4EMAPTELANEHSD17B10RAB9A
SCHEMBL5541680 0.69 KDM4E (0.63) KDM4EMAPTELANEHSD17B10RAB9A
SCHEMBL9534339 0.69 DDAH1 (0.67) MAPTDDAH1ADRA2CHSD17B10RAB9A
SCHEMBL28874557 0.69 MAPT (0.55) KDM4EMAPTELANEHSD17B10RAB9A

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-0335586-B1 PIPERIDINE & PIPERAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME UBE INDUSTRIES, LTD. (JP) 1993-06-02 EP disclosed
US-4929618-A ANTIALLERGENS, ANTIHISTAMINES UBE INDUSTRIES, LTD. (JP) 1990-05-29 US disclosed
EP-0335586-A1 Piperidine & piperazine derivatives, process for preparing the same and pharmaceutical compositions containing the same UBE INDUSTRIES, LTD. (JP) 1989-10-04 EP disclosed