SCHEMBL7627201

SCHEMBL7627201

c1ccc(NN2CCCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
ALDH1A1 P00352 6/20 0.47
CYP1A2 P05177 4/20 0.47
CYP2C19 P33261 3/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
POLB P06746 3/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
KCNA5 P22460 2/20 0.40
KCNH2 Q12809 2/20 0.40
KCNE1 P15382 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
SCHEMBL17911056 1.00 KDM1A (0.53) KDM1AALDH1A1CYP1A2CYP2C19HTT
SCHEMBL73610 1.00 KDM1A (0.53) KDM1AALDH1A1CYP1A2CYP2C19HTT
SCHEMBL1752645 0.98 KDM1A (0.50) KDM1AALDH1A1CYP1A2CYP2C19HTT
Hydrochloric Acid SCHEMBL19996083 0.95 KDM1A (0.48) KDM1AALDH1A1CYP1A2CYP2C19HTT
SCHEMBL1829575 0.93 KDM1A (0.46) KDM1AALDH1A1CYP1A2CYP2C19HTT
SCHEMBL4055295 0.87 ALDH1A1 (0.43) KDM1AALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL3544482 0.84 POLB (0.44) KDM1AALDH1A1CYP1A2CYP2C19HTT
SCHEMBL7597635 0.81 L3MBTL1 (0.54) ALDH1A1CYP2C19LMNAGAAKDM4E
SCHEMBL6626303 0.80 POLB (0.44) KDM1AALDH1A1CYP2C19MEN1KMT2A
SCHEMBL644787 0.77 POLB (0.49) ALDH1A1CYP1A2MEN1KMT2APOLB

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-1237935-A1 MODIFIED POLYMERS PREPARED WITH LANTHANIDE-BASED CATALYSTS Bridgestone Corporation (JP) 2002-09-11 EP claimed
WO-2001034659-A1 MODIFIED POLYMERS PREPARED WITH LANTHANIDE-BASED CATALYSTS BRIDGESTONE CORPORATION (JP) 2001-05-17 WO claimed