SCHEMBL6561428

SCHEMBL6561428

CCC(N)NCCCCCN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX1 P07099 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
PAOX Q6QHF9 2/20 0.39
CA12 O43570 1/20 0.39
F13A1 P00488 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CA3 P07451 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL818183 1.00 DNM1 (0.40) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL818137 0.98 CA12 (0.40) DNM1TSHRMEN1KMT2AALDH1A1
SCHEMBL8653758 0.91
SCHEMBL6722236 0.91 EPHX1 (0.32) EPHX1
SCHEMBL3164534 0.91 EPHX1 (0.32) EPHX1
Hydrochloric Acid SCHEMBL11471187 0.88 UBE2N (0.40) DNM1TSHRMEN1KMT2ACA12
SCHEMBL5859665 0.88 LMNA (0.31) TSHRALDH1A1LMNA
SCHEMBL3450949 0.84 EPHX1 (0.44) DNM1TSHRALDH1A1EPHX1GNAI3
SCHEMBL10657278 0.84 EPHX1 (0.44) DNM1TSHRALDH1A1EPHX1GNAI3
SCHEMBL3449630 0.84 EPHX1 (0.44) DNM1TSHRALDH1A1EPHX1GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1049444-B1 REDUCTION OF HAIR GROWTH GILLETTE CO (US) 2004-03-24 EP claimed