SCHEMBL21395051

SCHEMBL21395051

CCn1ccc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.60
NPC1 O15118 10/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
TSHR P16473 2/20 0.60
POLB P06746 1/20 0.49
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ALDH1A1 P00352 4/20 0.43
PKM P14618 1/20 0.43
GAA P10253 1/20 0.42
SNCA P37840 1/20 0.41
MAPT P10636 1/20 0.41
SCD O00767 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SCD5 Q86SK9 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL21394807 0.91 RAB9A (0.64) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL29442838 0.91 RAB9A (0.64) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL21394817 0.89 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL29357084 0.89 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL21395112 0.89 RAB9A (0.66) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL29442886 0.88 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL21394575 0.88 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL29356782 0.87 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL21394851 0.87 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TSHRPOLB
SCHEMBL21384506 0.84 ABCC8 (0.50) RAB9ANPC1SMN1; SMN2TSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed