SCHEMBL24587795

SCHEMBL24587795

NC(=O)c1cccc(-c2cc(N)cc(N)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.54
ERN1 O75460 5/20 0.53
PARP1 P09874 6/20 0.52
CCNT1 O60563 1/20 0.48
CCND1 P24385 1/20 0.48
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48
CCNH P51946 1/20 0.48
MNAT1 P51948 1/20 0.48
CDK6 Q00534 1/20 0.48
TDP2 O95551 1/20 0.46

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
SCHEMBL3790485 0.90 ERN1 (0.54) DHODHERN1PARP1CCNT1CCND1
SCHEMBL2431097 0.88 PARP1 (0.64) DHODHERN1PARP1CCNT1CCND1
SCHEMBL31422694 0.88 PARP1 (0.64) DHODHERN1PARP1CCNT1CCND1
SCHEMBL3791008 0.87 DHODH (0.57) DHODHERN1PARP1
SCHEMBL6999225 0.86 DHODH (0.63) DHODHERN1PARP1CCNT1CCND1
SCHEMBL3165972 0.85 ERN1 (0.57) DHODHERN1PARP1TDP2
SCHEMBL27365505 0.83 DHODH (0.64) DHODHERN1PARP1
SCHEMBL43553 0.82 DHODH (0.70) DHODHERN1PARP1
SCHEMBL29788172 0.82 DHODH (0.70) DHODHERN1PARP1
SCHEMBL16116617 0.81 PARP1 (0.62) DHODHERN1PARP1

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-20220204693-A1 Polyamide-Imide Copolymer and Film Containing the Same MICROCOSM TECHNOLOGY CO., LTD. (TW) 2022-06-30 US disclosed