SCHEMBL19670583

SCHEMBL19670583

Cc1cc(C(F)(F)F)nc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N(C)CC[C@H]2C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ADORA2A P29274 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ KDM1A O60341 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ RHOA P61586 1/20 0.35
▸ DGAT2 Q96PD7 1/20 0.35
▸ PHGDH O43175 2/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL19365904 0.85 MAPT (0.43) KMT2AMEN1ALDH1A1MAPTMCHR1
SCHEMBL19365256 0.85 RAF1 (0.37) KMT2AMEN1ALDH1A1ADORA2AKDM1A
SCHEMBL16775899 0.84 ADORA2A (0.38) KMT2AMEN1ALDH1A1ADORA2AKDM1A
SCHEMBL17618419 0.84 KMT2A (0.42) KMT2AMEN1ALDH1A1ADORA2AMAPT
SCHEMBL19365708 0.83 MAPT (0.41) KMT2AMEN1ALDH1A1ADORA2AMAPT
SCHEMBL19365368 0.83 TRPA1 (0.38) KMT2AMEN1ALDH1A1ADORA2AMAPT
SCHEMBL19365568 0.83 RHOA (0.50) KMT2AMEN1ALDH1A1MAPTKDM1A
SCHEMBL19670243 0.83 KDM1A (0.38) KMT2AMEN1ALDH1A1ADORA2AMAPT
SCHEMBL19365596 0.83 ADORA2A (0.39) KMT2AMEN1ALDH1A1ADORA2AMAPT
SCHEMBL19670489 0.82 CA2 (0.39) KMT2AMEN1KDM1ATSHRMAOA

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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