SCHEMBL4753322

SCHEMBL4753322

CC1CCc2[nH]nc(C(F)(F)F)c2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK1 P28482 1/20 0.40
RIPK1 Q13546 5/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
ACHE P22303 1/20 0.30

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
SCHEMBL4752360 0.87 CYP1A2 (0.42) CYP1A2CYP2C19LMNATP53HDAC1
SCHEMBL21254977 0.75 RIPK1 (0.35) CYP2C19RIPK1KMT2AALDH1A1KDM4E
SCHEMBL11666016 0.71 KMT2A (0.35) CYP2C19RIPK1KMT2AALDH1A1KDM4E
SCHEMBL4753717 0.71 HCAR2 (0.44) LMNAHDAC1HDAC8HDAC6KMT2A
SCHEMBL1006964 0.71 DHODH (0.47) LMNAHDAC1HDAC8HDAC6KMT2A
SCHEMBL11666350 0.70 ALDH1A1 (0.33) TP53RIPK1KMT2AALDH1A1KDM4E
SCHEMBL18372860 0.69 HCAR2 (0.47) RIPK1KMT2ANPC1RAB9AGAA
SCHEMBL8282611 0.69 HCAR2 (0.61) KMT2AHCAR2
SCHEMBL4751190 0.67 HCAR2 (0.41) CYP1A2CYP2C19HCAR2
SCHEMBL1423862 0.67 CYP2C19 (0.62) CYP1A2CYP2C19MAPK1

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
WO-2023178181-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-09-21 WO disclosed
EP-4245756-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF Gilead Sciences, Inc. (US) 2023-09-20 EP disclosed
WO-2008148832-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEROF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed
WO-2008148832-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEROF IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed