SCHEMBL6563224

SCHEMBL6563224

O=C(c1ccc(C#CCNc2ccccc2)cc1)N1CCc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
ALDH1A1 P00352 3/20 0.59
RAB9A P51151 5/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 3/20 0.57
NAMPT P43490 1/20 0.52
MEN1 O00255 2/20 0.50
AVPR1A P37288 2/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
AVPR2 P30518 1/20 0.48
OXTR P30559 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL7676415 0.90 RAB9A (0.51) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL6565322 0.83 RAB9A (0.46) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL31680509 0.78 HPGD (0.90) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5783412 0.76 HPGD (1.00) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL31556814 0.76 HPGD (1.00) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL29712728 0.74 SMN1; SMN2 (0.50) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL27179939 0.72 ALDH1A1 (0.64) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL22627393 0.72 HPGD (0.72) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL28782860 0.72 CA1 (0.56) HPGDALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL28801336 0.71 HPGD (0.77) HPGDALDH1A1RAB9ANPC1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed