SCHEMBL10643248

SCHEMBL10643248

Clc1nc(Cl)nc(OCCOc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
GBA1 P04062 1/20 0.47
ALDH1A1 P00352 4/20 0.45
TAAR1 Q96RJ0 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 2/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL11138006 0.81 ALDH1A1 (0.47) ALDH1A1TSHR
SCHEMBL9370072 0.79 PIN1 (0.51) RAB9AKCNH2NPC1
SCHEMBL11233716 0.77 KCNA3 (0.50) KCNA3ALDH1A1TAAR1RECQLRAB9A
SCHEMBL21067529 0.77 NPC1 (0.59) KCNA3ALDH1A1TAAR1RECQLRAB9A
SCHEMBL27962 0.76 KCNA3 (0.82) KCNA3ALDH1A1TAAR1RECQLPKM
SCHEMBL1639470 0.75 KDM4E (0.50) ALDH1A1RAB9AMAPTNPC1TSHR
SCHEMBL20510979 0.75 ALDH1A1 (0.69) ALDH1A1DRD2DRD4DRD3HTR1D
SCHEMBL16255504 0.75 LTA4H (0.56) ALDH1A1RAB9ANPC1
SCHEMBL11136043 0.74 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL6271267 0.74 ALDH1A1 (0.40) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0258391-A1 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE POULENC NEDERLAND B.V. (NL) 1988-03-09 EP disclosed
WO-1987004321-A2 USE OF HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS FOR REDUCING MOISTURE LOSS FROM PLANTS AND INCREASING CROP YIELD RHONE-POULENC NEDERLANDS B.V. (NL) 1987-07-30 WO disclosed