SCHEMBL10366228

SCHEMBL10366228

CC(C)n1ncc(NCCCO)c(Br)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.40
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
SMN1; SMN2 Q16637 6/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
PKM P14618 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK14 Q16539 2/20 0.36
KAT2B Q92831 1/20 0.36
CYP19A1 P11511 1/20 0.35
P2RX3 P56373 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL10365661 0.85 BPTF (0.52) BPTFCNR1CNR2SMN1; SMN2RAB9A
SCHEMBL10368182 0.80 CNR1 (0.43) BPTFCNR1CNR2SMN1; SMN2RAB9A
SCHEMBL10368396 0.78 CNR1 (0.39) BPTFCNR1CNR2SMN1; SMN2RAB9A
SCHEMBL10684523 0.71 PLA2G2D (0.40) KDM4EALDH1A1
SCHEMBL9726814 0.71 PDE9A (0.57) BPTFSMN1; SMN2RAB9AKDM4EKMT2A
SCHEMBL10680579 0.71 MAPK14 (0.36) KDM4ELMNAKMT2AALDH1A1MEN1
SCHEMBL10689346 0.71 PPARA (0.34) BPTFCNR1CNR2LMNANPSR1
SCHEMBL10601357 0.70 BRD4 (0.41) BPTFCNR2SMN1; SMN2RAB9AKDM4E
SCHEMBL10686259 0.70 MTNR1A (0.36) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL9726529 0.69 PDE9A (0.45) BPTFSMN1; SMN2RAB9AKMT2ANPC1

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-0193853-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1990-09-12 EP disclosed
US-4783462-A 3(2H)pyridazinone, and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1988-11-08 US disclosed
EP-0193853-A2 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-09-10 EP disclosed