SCHEMBL9876946

SCHEMBL9876946

CCCCNC(=O)Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 7/20 0.44
GLA P06280 4/20 0.44
GAA P10253 4/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 2/20 0.35
RAD52 P43351 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL11189488 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EGLAGAARAB9A
SCHEMBL10719392 0.80 RAB9A (0.44) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL7523111 0.79 NUDT1 (0.38) ALDH1A1KDM4EGLAGAARAB9A
SCHEMBL6399183 0.79 NUDT1 (0.41) ALDH1A1MAPTSMN1; SMN2LMNAHTT
SCHEMBL10722794 0.78 RAB9A (0.43) ALDH1A1KDM4ERAB9AMAPTNPC1
SCHEMBL6761125 0.74 NUDT1 (0.52) KDM4EGAASMN1; SMN2LMNAHTT
SCHEMBL7521998 0.74 HRH4 (0.43) ALDH1A1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL14269185 0.73 HRH4 (0.36) SMN1; SMN2LMNAKMT2AMEN1CYP1A2
SCHEMBL6397494 0.73 NUDT1 (0.51) SMN1; SMN2LMNAHTTKMT2ACYP1A2
SCHEMBL10722590 0.72 NPC1 (0.37) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2

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
US-5034387-A Applying to skins for hair growth and skin disorders L'OREAL (FR) 1991-07-23 US disclosed
US-4945093-A SKIN DISORDERS, HAIR LOSS L'OREAL (FR) 1990-07-31 US disclosed