SCHEMBL18827102

SCHEMBL18827102

C/C=C\C=C/C(=C\C)NC(=O)C(=O)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.42
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ PKM P14618 2/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 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
SCHEMBL20737984 0.89 NAPRT (0.44) MAOBRAB9ANPC1PKMNAPRT
SCHEMBL20404365 0.87 TGM2 (0.44) MAOBRAB9ANPC1PKMNAPRT
SCHEMBL19176338 0.82 MAOB (0.42) MAOBRAB9ANPC1NAPRTHSD17B10
SCHEMBL20433894 0.80 TGM2 (0.53) RAB9ANPC1PKMNAPRTHSD17B10
SCHEMBL18661300 0.75 TGM2 (0.44) MAOBRAB9ANPC1PKMNAPRT
SCHEMBL25452823 0.74 SMN1; SMN2 (0.53) MAOBRAB9ANPC1NAPRTHSD17B10
SCHEMBL19403909 0.74 SMN1; SMN2 (0.48) MAOBRAB9ANPC1NAPRTHSD17B10
SCHEMBL20433901 0.74 NAPRT (0.53) RAB9ANPC1PKMNAPRTHSD17B10
SCHEMBL19403907 0.73 SMN1; SMN2 (0.47) MAOBRAB9ANPC1NAPRTHSD17B10
SCHEMBL57554 0.72 SMN1; SMN2 (0.70) MAOBRAB9ANPC1PKMNAPRT

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
US-9644081-B2 Polyamide moulding composition, moulded articles produced therefrom and also use of the polyamide moulding compositions EMS-PATENT AG (CH) 2017-05-09 — — US disclosed
Send feedback