SCHEMBL15330883

SCHEMBL15330883

O=Cc1c(-c2ccc(Cl)cc2)nc2cc(Cl)ccn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 3/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40

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
SCHEMBL15333053 0.90 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL1430465 0.82 NPC1 (0.74) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL7655591 0.79 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL1431015 0.74 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL15332593 0.74 SLC2A1 (0.51) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL12296332 0.73 CYP2C9 (0.38) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL1691336 0.73 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2POLBNPC1
SCHEMBL16246714 0.73 SLC2A1 (0.57) ALDH1A1NPC1RAB9A
SCHEMBL29953652 0.72 NPC1 (0.53) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL4769730 0.72 NR1I3 (0.55) GAAMAPTNR1I3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed