SCHEMBL11209784

SCHEMBL11209784

CNc1cccc(C(=O)C(C)CCN)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
F3 P13726 1/20 0.38
PRSS3 P35030 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GABRR1 P24046 2/20 0.37
PARP1 P09874 2/20 0.37
PARP10 Q53GL7 2/20 0.37
HTT P42858 1/20 0.37
PARP14 Q460N5 1/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.36

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
Hydrochloric Acid SCHEMBL11212033 0.99 PARP1 (0.37) HSD17B10NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11271082 0.80 PBRM1 (0.46) HSD17B10NPC1MAPTSMN1; SMN2KDM4E
SCHEMBL10332163 0.79 KDM4E (0.47) NPC1MAPTRAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL11264396 0.79 F2 (0.46) HSD17B10NPC1SMN1; SMN2KDM4EPRSS1
SCHEMBL10807467 0.77 GABRR1 (0.52) HSD17B10NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL11268681 0.74 ALDH1A1 (0.55) MAPTRAB9ASMN1; SMN2PRSS1PRSS2
SCHEMBL11208323 0.73 ADRB2 (0.46) HSD17B10NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL21792030 0.73 ALDH1A1 (0.59) HSD17B10NPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL11276213 0.72 ADRB2 (0.45) HSD17B10NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2566629 0.72 PARP1 (0.61) PARP1PARP10PARP14KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4323688-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1982-04-06 US disclosed
US-4322431-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1982-03-30 US disclosed
US-4213993-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
US-4141982-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed