SCHEMBL8899400

SCHEMBL8899400

CCCCNC(=O)c1cc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 1.00
ACKR3 P25106 1/20 0.65
HDAC3 O15379 2/20 0.60
HDAC1 Q13547 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
NAMPT P43490 2/20 0.60
NCOR2 Q9Y618 1/20 0.59
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
BLM P54132 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL8899275 0.94 RAB9A (0.90) RAB9AACKR3HDAC3HDAC1HDAC2
SCHEMBL5094626 0.87 RAB9A (0.77) RAB9AACKR3HDAC3HDAC1HDAC2
SCHEMBL1193044 0.86 RAB9A (0.75) RAB9AACKR3HDAC3HDAC1HDAC2
SCHEMBL8329057 0.85 RAB9A (0.74) RAB9AACKR3HDAC3HDAC1HDAC2
SCHEMBL5092957 0.84 RAB9A (0.72) RAB9AACKR3HDAC3HDAC1HDAC2
SCHEMBL1193313 0.83 RAB9A (0.71) RAB9AACKR3HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL6369184 0.83 RAB9A (0.71) RAB9AACKR3HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL29411349 0.81 LMNA (0.70) RAB9AACKR3HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL6370237 0.81 RAB9A (0.68) RAB9AACKR3HDAC3HDAC1HDAC2
SCHEMBL19823622 0.80 MEN1 (0.73) RAB9AACKR3HDAC3HDAC1HDAC2

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-5622546-A Mould-resistant emulsion paints BAYER AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0683778-A1 HETEROAROMATIC COMPOUNDS WITH ANTIPSYCHOTIC ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1995-11-29 EP disclosed