SCHEMBL9402149

SCHEMBL9402149

CN1C(=O)NC(c2cc3ccccc3[nH]2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
PYGL P06737 1/20 0.41
PYGM P11217 1/20 0.41
LMNA P02545 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
HRH4 Q9H3N8 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
DAO P14920 1/20 0.39
DDO Q99489 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
SCHEMBL11667144 0.72 HDAC8 (0.42) BRD4CA12CA1CA3CA4
SCHEMBL21408183 0.71 BRD4 (0.44) BRD4LMNACA12CA1CA3
SCHEMBL6985477 0.70 DAO (0.46) BRD4CA12CA1CA3CA4
SCHEMBL3915457 0.70 BRD4 (0.42) BRD4LMNAHRH4CA12CA1
SCHEMBL77736 0.70 LMNA (0.61) BRD4LMNA
SCHEMBL9880049 0.70 ALOX5 (0.43) BRD4PYGLPYGMLMNAHRH4
SCHEMBL7203954 0.69 HRH4 (0.53) HRH4CHRNA7
SCHEMBL5584506 0.68 AOC3 (0.40) CA12CA1CA3CA4CA6
SCHEMBL73543 0.68 AOC3 (0.47) BRD4CA12CA1CA3CA4
SCHEMBL6155692 0.67 HRH4 (0.42) HRH4KDRCHRNA7

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-5338859-A Reacting a hydantoin with a calcium base; crystallization; precipitation; separation HOECHST CELANESE CORPORATION (US) 1994-08-16 US claimed
US-4436910-A SAPONIFICATION DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-03-13 US claimed
US-5338859-A Reacting a hydantoin with a calcium base; crystallization; precipitation; separation HOECHST CELANESE CORPORATION (US) 1994-08-16 US disclosed
US-4436910-A SAPONIFICATION DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-03-13 US disclosed