SCHEMBL27285378

SCHEMBL27285378

COc1cc([C@H](C)n2ccnc2C)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
OGA O60502 2/20 0.39
MC4R P32245 2/20 0.39
PKM P14618 2/20 0.38
CYP26A1 O43174 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 2/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
GLP1R P43220 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36

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
SCHEMBL30946872 1.00 DYRK1A (0.40) DYRK1AOGAMC4RPKMCYP26A1
SCHEMBL10996936 0.78 ALDH1A1 (0.48) DYRK1ACYP26A1CYP2C19CYP1A2KMT2A
Hydrochloric Acid SCHEMBL10996796 0.77 ALDH1A1 (0.47) DYRK1ACYP26A1CYP2C19CYP1A2KMT2A
SCHEMBL10996691 0.74 CYP19A1 (0.41) CYP26A1CYP2C19CYP3A4KMT2ATUBB4A
SCHEMBL10999309 0.74 TDP1 (0.42) CYP26A1KMT2AALDH1A1RECQLMEN1
SCHEMBL11003063 0.74 CYP26A1 (0.38) MC4RCYP26A1KMT2AALDH1A1RECQL
Hydrochloric Acid SCHEMBL10997453 0.72 TDP1 (0.41) CYP26A1KMT2AALDH1A1RECQLMEN1
SCHEMBL11838725 0.71 ALDH1A1 (0.47) DYRK1AOGACYP2C9CYP2C19KMT2A
SCHEMBL1104690 0.71 ALDH1A1 (0.47) DYRK1ACYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL10997386 0.71 BRD4 (0.37) CYP26A1KMT2AALDH1A1MEN1POLB

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
WO-2024126777-A1 HETEROAROMATIC COMPOUNDS ASTRAZENECA AB (SE) 2024-06-20 WO disclosed