SCHEMBL19622680

SCHEMBL19622680

C1=C(c2cccc(-c3ccccc3)c2)NC(c2ccccc2)N=C1c1ccc(-c2cccc3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ NOS2 P35228 1/20 0.36
▸ TNF P01375 1/20 0.35
▸ MCL1 Q07820 2/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33

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
SCHEMBL19486767 0.86 TNF (0.36) CA12CA1CA2CA9NOS2
SCHEMBL17969930 0.84 MEN1 (0.37) NOS2KDM4EALDH1A1MAPTHPGD
SCHEMBL19486684 0.84 BRD4 (0.37) CA12CA1CA2CA9NOS2
SCHEMBL27380627 0.83 KDM4E (0.39) NOS2KDM4EALDH1A1MAPTHPGD
SCHEMBL18562484 0.83 NOS2 (0.36) NOS2ACMSDKDM4ESMN1; SMN2MEN1
SCHEMBL19531266 0.82 PRKCZ (0.41) TNFCYP2C9CYP2C19CYP1A2
SCHEMBL19368667 0.81 MEN1 (0.36) NOS2KDM4EALDH1A1MAPTHPGD
SCHEMBL26851620 0.81 GPR84 (0.31) —
SCHEMBL23099366 0.81 PDK2 (0.33) NOS2
SCHEMBL18965467 0.81 MEN1 (0.34) NOS2KDM4EALDH1A1MAPTHPGD

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
EP-3246963-A2 ORGANIC LIGHT-EMITTING DEVICE Samsung Display Co., Ltd. (KR) 2017-11-22 — — EP disclosed
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